data_25995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25995 _Entry.Title ; Protein complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-12 _Entry.Accession_date 2016-03-22 _Entry.Last_release_date 2016-07-18 _Entry.Original_release_date 2016-07-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Xiang Chen . . . . 25995 2 Kylie Walters . J . . 25995 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25995 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 581 25995 '15N chemical shifts' 149 25995 '1H chemical shifts' 915 25995 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-13 2016-03-12 update BMRB 'update entry citation' 25995 1 . . 2016-07-18 2016-03-12 original author 'original release' 25995 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NBV 'BMRB Entry Tracking System' 25995 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25995 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27396824 _Citation.Full_citation . _Citation.Title ; Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1257 _Citation.Page_last 1270 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiang Chen . . . . 25995 1 2 Leah Randles . . . . 25995 1 3 Ke Shi . . . . 25995 1 4 Sergey Tarasov . G. . . 25995 1 5 Hideki Aihara . . . . 25995 1 6 Kylie Walters . J. . . 25995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25995 _Assembly.ID 1 _Assembly.Name 'human Rpn13 Pru domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25995 1 2 entity_2 2 $entity_2 B . no native no no . . . 25995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25995 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTTSGALFPSLVPGSRGASN KYLVEFRAGKMSLKGTTVTP DKRKGLVYIQQTDDSLIHFC WKDRTSGNVEDDLIIFPDDC EFKRVPQCPSGRVYVLKFKA GSKRLFFWMQEPKTDQDEEH CRKVNEYLNNPPMPGALGAS GSSGHELSAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25995 1 2 2 THR . 25995 1 3 3 THR . 25995 1 4 4 SER . 25995 1 5 5 GLY . 25995 1 6 6 ALA . 25995 1 7 7 LEU . 25995 1 8 8 PHE . 25995 1 9 9 PRO . 25995 1 10 10 SER . 25995 1 11 11 LEU . 25995 1 12 12 VAL . 25995 1 13 13 PRO . 25995 1 14 14 GLY . 25995 1 15 15 SER . 25995 1 16 16 ARG . 25995 1 17 17 GLY . 25995 1 18 18 ALA . 25995 1 19 19 SER . 25995 1 20 20 ASN . 25995 1 21 21 LYS . 25995 1 22 22 TYR . 25995 1 23 23 LEU . 25995 1 24 24 VAL . 25995 1 25 25 GLU . 25995 1 26 26 PHE . 25995 1 27 27 ARG . 25995 1 28 28 ALA . 25995 1 29 29 GLY . 25995 1 30 30 LYS . 25995 1 31 31 MET . 25995 1 32 32 SER . 25995 1 33 33 LEU . 25995 1 34 34 LYS . 25995 1 35 35 GLY . 25995 1 36 36 THR . 25995 1 37 37 THR . 25995 1 38 38 VAL . 25995 1 39 39 THR . 25995 1 40 40 PRO . 25995 1 41 41 ASP . 25995 1 42 42 LYS . 25995 1 43 43 ARG . 25995 1 44 44 LYS . 25995 1 45 45 GLY . 25995 1 46 46 LEU . 25995 1 47 47 VAL . 25995 1 48 48 TYR . 25995 1 49 49 ILE . 25995 1 50 50 GLN . 25995 1 51 51 GLN . 25995 1 52 52 THR . 25995 1 53 53 ASP . 25995 1 54 54 ASP . 25995 1 55 55 SER . 25995 1 56 56 LEU . 25995 1 57 57 ILE . 25995 1 58 58 HIS . 25995 1 59 59 PHE . 25995 1 60 60 CYS . 25995 1 61 61 TRP . 25995 1 62 62 LYS . 25995 1 63 63 ASP . 25995 1 64 64 ARG . 25995 1 65 65 THR . 25995 1 66 66 SER . 25995 1 67 67 GLY . 25995 1 68 68 ASN . 25995 1 69 69 VAL . 25995 1 70 70 GLU . 25995 1 71 71 ASP . 25995 1 72 72 ASP . 25995 1 73 73 LEU . 25995 1 74 74 ILE . 25995 1 75 75 ILE . 25995 1 76 76 PHE . 25995 1 77 77 PRO . 25995 1 78 78 ASP . 25995 1 79 79 ASP . 25995 1 80 80 CYS . 25995 1 81 81 GLU . 25995 1 82 82 PHE . 25995 1 83 83 LYS . 25995 1 84 84 ARG . 25995 1 85 85 VAL . 25995 1 86 86 PRO . 25995 1 87 87 GLN . 25995 1 88 88 CYS . 25995 1 89 89 PRO . 25995 1 90 90 SER . 25995 1 91 91 GLY . 25995 1 92 92 ARG . 25995 1 93 93 VAL . 25995 1 94 94 TYR . 25995 1 95 95 VAL . 25995 1 96 96 LEU . 25995 1 97 97 LYS . 25995 1 98 98 PHE . 25995 1 99 99 LYS . 25995 1 100 100 ALA . 25995 1 101 101 GLY . 25995 1 102 102 SER . 25995 1 103 103 LYS . 25995 1 104 104 ARG . 25995 1 105 105 LEU . 25995 1 106 106 PHE . 25995 1 107 107 PHE . 25995 1 108 108 TRP . 25995 1 109 109 MET . 25995 1 110 110 GLN . 25995 1 111 111 GLU . 25995 1 112 112 PRO . 25995 1 113 113 LYS . 25995 1 114 114 THR . 25995 1 115 115 ASP . 25995 1 116 116 GLN . 25995 1 117 117 ASP . 25995 1 118 118 GLU . 25995 1 119 119 GLU . 25995 1 120 120 HIS . 25995 1 121 121 CYS . 25995 1 122 122 ARG . 25995 1 123 123 LYS . 25995 1 124 124 VAL . 25995 1 125 125 ASN . 25995 1 126 126 GLU . 25995 1 127 127 TYR . 25995 1 128 128 LEU . 25995 1 129 129 ASN . 25995 1 130 130 ASN . 25995 1 131 131 PRO . 25995 1 132 132 PRO . 25995 1 133 133 MET . 25995 1 134 134 PRO . 25995 1 135 135 GLY . 25995 1 136 136 ALA . 25995 1 137 137 LEU . 25995 1 138 138 GLY . 25995 1 139 139 ALA . 25995 1 140 140 SER . 25995 1 141 141 GLY . 25995 1 142 142 SER . 25995 1 143 143 SER . 25995 1 144 144 GLY . 25995 1 145 145 HIS . 25995 1 146 146 GLU . 25995 1 147 147 LEU . 25995 1 148 148 SER . 25995 1 149 149 ALA . 25995 1 150 150 LEU . 25995 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25995 1 . THR 2 2 25995 1 . THR 3 3 25995 1 . SER 4 4 25995 1 . GLY 5 5 25995 1 . ALA 6 6 25995 1 . LEU 7 7 25995 1 . PHE 8 8 25995 1 . PRO 9 9 25995 1 . SER 10 10 25995 1 . LEU 11 11 25995 1 . VAL 12 12 25995 1 . PRO 13 13 25995 1 . GLY 14 14 25995 1 . SER 15 15 25995 1 . ARG 16 16 25995 1 . GLY 17 17 25995 1 . ALA 18 18 25995 1 . SER 19 19 25995 1 . ASN 20 20 25995 1 . LYS 21 21 25995 1 . TYR 22 22 25995 1 . LEU 23 23 25995 1 . VAL 24 24 25995 1 . GLU 25 25 25995 1 . PHE 26 26 25995 1 . ARG 27 27 25995 1 . ALA 28 28 25995 1 . GLY 29 29 25995 1 . LYS 30 30 25995 1 . MET 31 31 25995 1 . SER 32 32 25995 1 . LEU 33 33 25995 1 . LYS 34 34 25995 1 . GLY 35 35 25995 1 . THR 36 36 25995 1 . THR 37 37 25995 1 . VAL 38 38 25995 1 . THR 39 39 25995 1 . PRO 40 40 25995 1 . ASP 41 41 25995 1 . LYS 42 42 25995 1 . ARG 43 43 25995 1 . LYS 44 44 25995 1 . GLY 45 45 25995 1 . LEU 46 46 25995 1 . VAL 47 47 25995 1 . TYR 48 48 25995 1 . ILE 49 49 25995 1 . GLN 50 50 25995 1 . GLN 51 51 25995 1 . THR 52 52 25995 1 . ASP 53 53 25995 1 . ASP 54 54 25995 1 . SER 55 55 25995 1 . LEU 56 56 25995 1 . ILE 57 57 25995 1 . HIS 58 58 25995 1 . PHE 59 59 25995 1 . CYS 60 60 25995 1 . TRP 61 61 25995 1 . LYS 62 62 25995 1 . ASP 63 63 25995 1 . ARG 64 64 25995 1 . THR 65 65 25995 1 . SER 66 66 25995 1 . GLY 67 67 25995 1 . ASN 68 68 25995 1 . VAL 69 69 25995 1 . GLU 70 70 25995 1 . ASP 71 71 25995 1 . ASP 72 72 25995 1 . LEU 73 73 25995 1 . ILE 74 74 25995 1 . ILE 75 75 25995 1 . PHE 76 76 25995 1 . PRO 77 77 25995 1 . ASP 78 78 25995 1 . ASP 79 79 25995 1 . CYS 80 80 25995 1 . GLU 81 81 25995 1 . PHE 82 82 25995 1 . LYS 83 83 25995 1 . ARG 84 84 25995 1 . VAL 85 85 25995 1 . PRO 86 86 25995 1 . GLN 87 87 25995 1 . CYS 88 88 25995 1 . PRO 89 89 25995 1 . SER 90 90 25995 1 . GLY 91 91 25995 1 . ARG 92 92 25995 1 . VAL 93 93 25995 1 . TYR 94 94 25995 1 . VAL 95 95 25995 1 . LEU 96 96 25995 1 . LYS 97 97 25995 1 . PHE 98 98 25995 1 . LYS 99 99 25995 1 . ALA 100 100 25995 1 . GLY 101 101 25995 1 . SER 102 102 25995 1 . LYS 103 103 25995 1 . ARG 104 104 25995 1 . LEU 105 105 25995 1 . PHE 106 106 25995 1 . PHE 107 107 25995 1 . TRP 108 108 25995 1 . MET 109 109 25995 1 . GLN 110 110 25995 1 . GLU 111 111 25995 1 . PRO 112 112 25995 1 . LYS 113 113 25995 1 . THR 114 114 25995 1 . ASP 115 115 25995 1 . GLN 116 116 25995 1 . ASP 117 117 25995 1 . GLU 118 118 25995 1 . GLU 119 119 25995 1 . HIS 120 120 25995 1 . CYS 121 121 25995 1 . ARG 122 122 25995 1 . LYS 123 123 25995 1 . VAL 124 124 25995 1 . ASN 125 125 25995 1 . GLU 126 126 25995 1 . TYR 127 127 25995 1 . LEU 128 128 25995 1 . ASN 129 129 25995 1 . ASN 130 130 25995 1 . PRO 131 131 25995 1 . PRO 132 132 25995 1 . MET 133 133 25995 1 . PRO 134 134 25995 1 . GLY 135 135 25995 1 . ALA 136 136 25995 1 . LEU 137 137 25995 1 . GLY 138 138 25995 1 . ALA 139 139 25995 1 . SER 140 140 25995 1 . GLY 141 141 25995 1 . SER 142 142 25995 1 . SER 143 143 25995 1 . GLY 144 144 25995 1 . HIS 145 145 25995 1 . GLU 146 146 25995 1 . LEU 147 147 25995 1 . SER 148 148 25995 1 . ALA 149 149 25995 1 . LEU 150 150 25995 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25995 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APAEPKIIKVTVKTPKEKEE FAVPENSSVQQFKEAISKRF KSQTDQLVLIFAGKILKDQD TLIQHGIHDGLTVHLVIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8764.290 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 26 ALA . 25995 2 2 27 PRO . 25995 2 3 28 ALA . 25995 2 4 29 GLU . 25995 2 5 30 PRO . 25995 2 6 31 LYS . 25995 2 7 32 ILE . 25995 2 8 33 ILE . 25995 2 9 34 LYS . 25995 2 10 35 VAL . 25995 2 11 36 THR . 25995 2 12 37 VAL . 25995 2 13 38 LYS . 25995 2 14 39 THR . 25995 2 15 40 PRO . 25995 2 16 41 LYS . 25995 2 17 42 GLU . 25995 2 18 43 LYS . 25995 2 19 44 GLU . 25995 2 20 45 GLU . 25995 2 21 46 PHE . 25995 2 22 47 ALA . 25995 2 23 48 VAL . 25995 2 24 49 PRO . 25995 2 25 50 GLU . 25995 2 26 51 ASN . 25995 2 27 52 SER . 25995 2 28 53 SER . 25995 2 29 54 VAL . 25995 2 30 55 GLN . 25995 2 31 56 GLN . 25995 2 32 57 PHE . 25995 2 33 58 LYS . 25995 2 34 59 GLU . 25995 2 35 60 ALA . 25995 2 36 61 ILE . 25995 2 37 62 SER . 25995 2 38 63 LYS . 25995 2 39 64 ARG . 25995 2 40 65 PHE . 25995 2 41 66 LYS . 25995 2 42 67 SER . 25995 2 43 68 GLN . 25995 2 44 69 THR . 25995 2 45 70 ASP . 25995 2 46 71 GLN . 25995 2 47 72 LEU . 25995 2 48 73 VAL . 25995 2 49 74 LEU . 25995 2 50 75 ILE . 25995 2 51 76 PHE . 25995 2 52 77 ALA . 25995 2 53 78 GLY . 25995 2 54 79 LYS . 25995 2 55 80 ILE . 25995 2 56 81 LEU . 25995 2 57 82 LYS . 25995 2 58 83 ASP . 25995 2 59 84 GLN . 25995 2 60 85 ASP . 25995 2 61 86 THR . 25995 2 62 87 LEU . 25995 2 63 88 ILE . 25995 2 64 89 GLN . 25995 2 65 90 HIS . 25995 2 66 91 GLY . 25995 2 67 92 ILE . 25995 2 68 93 HIS . 25995 2 69 94 ASP . 25995 2 70 95 GLY . 25995 2 71 96 LEU . 25995 2 72 97 THR . 25995 2 73 98 VAL . 25995 2 74 99 HIS . 25995 2 75 100 LEU . 25995 2 76 101 VAL . 25995 2 77 102 ILE . 25995 2 78 103 LYS . 25995 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 25995 2 . PRO 2 2 25995 2 . ALA 3 3 25995 2 . GLU 4 4 25995 2 . PRO 5 5 25995 2 . LYS 6 6 25995 2 . ILE 7 7 25995 2 . ILE 8 8 25995 2 . LYS 9 9 25995 2 . VAL 10 10 25995 2 . THR 11 11 25995 2 . VAL 12 12 25995 2 . LYS 13 13 25995 2 . THR 14 14 25995 2 . PRO 15 15 25995 2 . LYS 16 16 25995 2 . GLU 17 17 25995 2 . LYS 18 18 25995 2 . GLU 19 19 25995 2 . GLU 20 20 25995 2 . PHE 21 21 25995 2 . ALA 22 22 25995 2 . VAL 23 23 25995 2 . PRO 24 24 25995 2 . GLU 25 25 25995 2 . ASN 26 26 25995 2 . SER 27 27 25995 2 . SER 28 28 25995 2 . VAL 29 29 25995 2 . GLN 30 30 25995 2 . GLN 31 31 25995 2 . PHE 32 32 25995 2 . LYS 33 33 25995 2 . GLU 34 34 25995 2 . ALA 35 35 25995 2 . ILE 36 36 25995 2 . SER 37 37 25995 2 . LYS 38 38 25995 2 . ARG 39 39 25995 2 . PHE 40 40 25995 2 . LYS 41 41 25995 2 . SER 42 42 25995 2 . GLN 43 43 25995 2 . THR 44 44 25995 2 . ASP 45 45 25995 2 . GLN 46 46 25995 2 . LEU 47 47 25995 2 . VAL 48 48 25995 2 . LEU 49 49 25995 2 . ILE 50 50 25995 2 . PHE 51 51 25995 2 . ALA 52 52 25995 2 . GLY 53 53 25995 2 . LYS 54 54 25995 2 . ILE 55 55 25995 2 . LEU 56 56 25995 2 . LYS 57 57 25995 2 . ASP 58 58 25995 2 . GLN 59 59 25995 2 . ASP 60 60 25995 2 . THR 61 61 25995 2 . LEU 62 62 25995 2 . ILE 63 63 25995 2 . GLN 64 64 25995 2 . HIS 65 65 25995 2 . GLY 66 66 25995 2 . ILE 67 67 25995 2 . HIS 68 68 25995 2 . ASP 69 69 25995 2 . GLY 70 70 25995 2 . LEU 71 71 25995 2 . THR 72 72 25995 2 . VAL 73 73 25995 2 . HIS 74 74 25995 2 . LEU 75 75 25995 2 . VAL 76 76 25995 2 . ILE 77 77 25995 2 . LYS 78 78 25995 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25995 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25995 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25995 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25995 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pRSET . . . 25995 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pGEX4T1 . . . 25995 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25995 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N; U-70% 2H]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 25995 1 2 entity_2 'natural abundance' . . 2 $entity_2 . protein 0.7 . . mM . . . . 25995 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25995 1 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25995 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25995 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25995 1 7 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25995 1 8 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25995 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25995 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 25995 2 2 entity_2 'natural abundance' . . 2 $entity_2 . protein 0.7 . . mM . . . . 25995 2 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25995 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25995 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25995 2 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25995 2 7 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25995 2 8 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25995 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25995 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 25995 3 2 entity_2 'natural abundance' . . 2 $entity_2 . protein 0.7 . . mM . . . . 25995 3 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25995 3 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25995 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25995 3 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25995 3 7 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25995 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25995 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 25995 1 pH 6.5 . pH 25995 1 pressure 1 . atm 25995 1 temperature 298 . K 25995 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25995 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25995 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25995 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25995 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25995 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25995 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25995 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25995 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25995 3 'peak picking' 25995 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25995 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25995 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25995 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25995 1 2 spectrometer_2 Bruker Avance . 850 . . . 25995 1 3 spectrometer_3 Bruker Avance . 600 . . . 25995 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25995 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25995 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25995 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25995 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25995 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25995 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25995 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25995 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25995 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25995 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25995 1 2 '3D HNCACB' 1 $sample_1 isotropic 25995 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25995 1 4 '3D HNCA' 1 $sample_1 isotropic 25995 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 25995 1 6 '3D HNCO' 1 $sample_1 isotropic 25995 1 7 '3D HN(CA)CO' 1 $sample_1 isotropic 25995 1 8 '3D 1H-15N NOESY' 2 $sample_2 isotropic 25995 1 9 '2D 1H-13C HSQC' 3 $sample_3 isotropic 25995 1 10 '3D HCCH-TOCSY' 3 $sample_3 isotropic 25995 1 11 '3D 1H-13C NOESY aliphatic' 3 $sample_3 isotropic 25995 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 25995 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.486 0.003 . 1 . . . . 1 MET H . 25995 1 2 . 1 1 1 1 MET HA H 1 4.581 0.002 . 1 . . . . 1 MET HA . 25995 1 3 . 1 1 1 1 MET HB2 H 1 2.032 0.005 . 2 . . . . 1 MET HB2 . 25995 1 4 . 1 1 1 1 MET HB3 H 1 2.125 0.003 . 2 . . . . 1 MET HB3 . 25995 1 5 . 1 1 1 1 MET HG2 H 1 2.606 0.006 . 2 . . . . 1 MET HG2 . 25995 1 6 . 1 1 1 1 MET HG3 H 1 2.549 0.005 . 2 . . . . 1 MET HG3 . 25995 1 7 . 1 1 1 1 MET HE1 H 1 2.077 0 . 1 . . . . 1 MET QE . 25995 1 8 . 1 1 1 1 MET HE2 H 1 2.077 0 . 1 . . . . 1 MET QE . 25995 1 9 . 1 1 1 1 MET HE3 H 1 2.077 0 . 1 . . . . 1 MET QE . 25995 1 10 . 1 1 1 1 MET C C 13 172.233 0.003 . 1 . . . . 1 MET C . 25995 1 11 . 1 1 1 1 MET CA C 13 55.353 0.093 . 1 . . . . 1 MET CA . 25995 1 12 . 1 1 1 1 MET CB C 13 32.452 0.114 . 1 . . . . 1 MET CB . 25995 1 13 . 1 1 1 1 MET CG C 13 31.572 0.014 . 1 . . . . 1 MET CG . 25995 1 14 . 1 1 1 1 MET CE C 13 16.495 0 . 1 . . . . 1 MET CE . 25995 1 15 . 1 1 1 1 MET N N 15 122.158 0.067 . 1 . . . . 1 MET N . 25995 1 16 . 1 1 2 2 THR H H 1 8.222 0.002 . 1 . . . . 2 THR H . 25995 1 17 . 1 1 2 2 THR HA H 1 4.431 0.006 . 1 . . . . 2 THR HA . 25995 1 18 . 1 1 2 2 THR HB H 1 4.253 0.005 . 1 . . . . 2 THR HB . 25995 1 19 . 1 1 2 2 THR HG21 H 1 1.198 0 . 1 . . . . 2 THR QG2 . 25995 1 20 . 1 1 2 2 THR HG22 H 1 1.198 0 . 1 . . . . 2 THR QG2 . 25995 1 21 . 1 1 2 2 THR HG23 H 1 1.198 0 . 1 . . . . 2 THR QG2 . 25995 1 22 . 1 1 2 2 THR C C 13 173.871 0.003 . 1 . . . . 2 THR C . 25995 1 23 . 1 1 2 2 THR CA C 13 61.475 0.189 . 1 . . . . 2 THR CA . 25995 1 24 . 1 1 2 2 THR CB C 13 69.536 0.108 . 1 . . . . 2 THR CB . 25995 1 25 . 1 1 2 2 THR CG2 C 13 21.14 0.082 . 1 . . . . 2 THR CG2 . 25995 1 26 . 1 1 2 2 THR N N 15 115.148 0.082 . 1 . . . . 2 THR N . 25995 1 27 . 1 1 3 3 THR H H 1 8.186 0.002 . 1 . . . . 3 THR H . 25995 1 28 . 1 1 3 3 THR HA H 1 4.402 0.003 . 1 . . . . 3 THR HA . 25995 1 29 . 1 1 3 3 THR HB H 1 4.268 0.007 . 1 . . . . 3 THR HB . 25995 1 30 . 1 1 3 3 THR HG21 H 1 1.195 0.001 . 1 . . . . 3 THR QG2 . 25995 1 31 . 1 1 3 3 THR HG22 H 1 1.195 0.001 . 1 . . . . 3 THR QG2 . 25995 1 32 . 1 1 3 3 THR HG23 H 1 1.195 0.001 . 1 . . . . 3 THR QG2 . 25995 1 33 . 1 1 3 3 THR C C 13 174.005 0.016 . 1 . . . . 3 THR C . 25995 1 34 . 1 1 3 3 THR CA C 13 61.573 0.133 . 1 . . . . 3 THR CA . 25995 1 35 . 1 1 3 3 THR CB C 13 69.456 0.073 . 1 . . . . 3 THR CB . 25995 1 36 . 1 1 3 3 THR CG2 C 13 21.141 0.065 . 1 . . . . 3 THR CG2 . 25995 1 37 . 1 1 3 3 THR N N 15 115.813 0.053 . 1 . . . . 3 THR N . 25995 1 38 . 1 1 4 4 SER H H 1 8.325 0.004 . 1 . . . . 4 SER H . 25995 1 39 . 1 1 4 4 SER HA H 1 4.456 0.005 . 1 . . . . 4 SER HA . 25995 1 40 . 1 1 4 4 SER HB2 H 1 3.882 0.006 . 2 . . . . 4 SER QB . 25995 1 41 . 1 1 4 4 SER HB3 H 1 3.882 0.006 . 2 . . . . 4 SER QB . 25995 1 42 . 1 1 4 4 SER C C 13 173.695 0.004 . 1 . . . . 4 SER C . 25995 1 43 . 1 1 4 4 SER CA C 13 58.346 0.104 . 1 . . . . 4 SER CA . 25995 1 44 . 1 1 4 4 SER CB C 13 63.576 0.131 . 1 . . . . 4 SER CB . 25995 1 45 . 1 1 4 4 SER N N 15 117.789 0.044 . 1 . . . . 4 SER N . 25995 1 46 . 1 1 5 5 GLY H H 1 8.381 0.006 . 1 . . . . 5 GLY H . 25995 1 47 . 1 1 5 5 GLY HA2 H 1 3.95 0.008 . 2 . . . . 5 GLY QA . 25995 1 48 . 1 1 5 5 GLY HA3 H 1 3.95 0.008 . 2 . . . . 5 GLY QA . 25995 1 49 . 1 1 5 5 GLY C C 13 175.042 0.029 . 1 . . . . 5 GLY C . 25995 1 50 . 1 1 5 5 GLY CA C 13 45.054 0.104 . 1 . . . . 5 GLY CA . 25995 1 51 . 1 1 5 5 GLY N N 15 110.937 0.068 . 1 . . . . 5 GLY N . 25995 1 52 . 1 1 6 6 ALA H H 1 8.049 0.003 . 1 . . . . 6 ALA H . 25995 1 53 . 1 1 6 6 ALA HA H 1 4.257 0.015 . 1 . . . . 6 ALA HA . 25995 1 54 . 1 1 6 6 ALA HB1 H 1 1.293 0.001 . 1 . . . . 6 ALA QB . 25995 1 55 . 1 1 6 6 ALA HB2 H 1 1.293 0.001 . 1 . . . . 6 ALA QB . 25995 1 56 . 1 1 6 6 ALA HB3 H 1 1.293 0.001 . 1 . . . . 6 ALA QB . 25995 1 57 . 1 1 6 6 ALA C C 13 171.374 0.015 . 1 . . . . 6 ALA C . 25995 1 58 . 1 1 6 6 ALA CA C 13 52.025 0.093 . 1 . . . . 6 ALA CA . 25995 1 59 . 1 1 6 6 ALA CB C 13 19.029 0.096 . 1 . . . . 6 ALA CB . 25995 1 60 . 1 1 6 6 ALA N N 15 123.36 0.057 . 1 . . . . 6 ALA N . 25995 1 61 . 1 1 7 7 LEU H H 1 8.062 0.003 . 1 . . . . 7 LEU H . 25995 1 62 . 1 1 7 7 LEU HA H 1 4.225 0.004 . 1 . . . . 7 LEU HA . 25995 1 63 . 1 1 7 7 LEU HB2 H 1 1.347 0.006 . 2 . . . . 7 LEU HB2 . 25995 1 64 . 1 1 7 7 LEU HB3 H 1 1.485 0.004 . 2 . . . . 7 LEU HB3 . 25995 1 65 . 1 1 7 7 LEU HG H 1 1.479 0.002 . 1 . . . . 7 LEU HG . 25995 1 66 . 1 1 7 7 LEU HD11 H 1 0.858 0.001 . 2 . . . . 7 LEU QD1 . 25995 1 67 . 1 1 7 7 LEU HD12 H 1 0.858 0.001 . 2 . . . . 7 LEU QD1 . 25995 1 68 . 1 1 7 7 LEU HD13 H 1 0.858 0.001 . 2 . . . . 7 LEU QD1 . 25995 1 69 . 1 1 7 7 LEU HD21 H 1 0.792 0.002 . 2 . . . . 7 LEU QD2 . 25995 1 70 . 1 1 7 7 LEU HD22 H 1 0.792 0.002 . 2 . . . . 7 LEU QD2 . 25995 1 71 . 1 1 7 7 LEU HD23 H 1 0.792 0.002 . 2 . . . . 7 LEU QD2 . 25995 1 72 . 1 1 7 7 LEU C C 13 172.091 0.002 . 1 . . . . 7 LEU C . 25995 1 73 . 1 1 7 7 LEU CA C 13 54.718 0.044 . 1 . . . . 7 LEU CA . 25995 1 74 . 1 1 7 7 LEU CB C 13 42.129 0.033 . 1 . . . . 7 LEU CB . 25995 1 75 . 1 1 7 7 LEU CG C 13 26.528 0.03 . 1 . . . . 7 LEU CG . 25995 1 76 . 1 1 7 7 LEU CD1 C 13 24.289 0.018 . 2 . . . . 7 LEU CD1 . 25995 1 77 . 1 1 7 7 LEU CD2 C 13 23.024 0.028 . 2 . . . . 7 LEU CD2 . 25995 1 78 . 1 1 7 7 LEU N N 15 120.798 0.043 . 1 . . . . 7 LEU N . 25995 1 79 . 1 1 8 8 PHE H H 1 8.08 0.004 . 1 . . . . 8 PHE H . 25995 1 80 . 1 1 8 8 PHE HA H 1 4.874 0.001 . 1 . . . . 8 PHE HA . 25995 1 81 . 1 1 8 8 PHE HB2 H 1 2.903 0.003 . 2 . . . . 8 PHE HB2 . 25995 1 82 . 1 1 8 8 PHE HB3 H 1 3.144 0.005 . 2 . . . . 8 PHE HB3 . 25995 1 83 . 1 1 8 8 PHE C C 13 174.864 0 . 1 . . . . 8 PHE C . 25995 1 84 . 1 1 8 8 PHE CA C 13 55.081 0.055 . 1 . . . . 8 PHE CA . 25995 1 85 . 1 1 8 8 PHE CB C 13 38.727 0.032 . 1 . . . . 8 PHE CB . 25995 1 86 . 1 1 8 8 PHE N N 15 120.71 0.053 . 1 . . . . 8 PHE N . 25995 1 87 . 1 1 9 9 PRO HA H 1 4.417 0.004 . 1 . . . . 9 PRO HA . 25995 1 88 . 1 1 9 9 PRO HB2 H 1 1.913 0.002 . 2 . . . . 9 PRO HB2 . 25995 1 89 . 1 1 9 9 PRO HB3 H 1 2.262 0.007 . 2 . . . . 9 PRO HB3 . 25995 1 90 . 1 1 9 9 PRO HG2 H 1 1.971 0.001 . 2 . . . . 9 PRO QG . 25995 1 91 . 1 1 9 9 PRO HG3 H 1 1.971 0.001 . 2 . . . . 9 PRO QG . 25995 1 92 . 1 1 9 9 PRO HD2 H 1 3.7 0.004 . 2 . . . . 9 PRO HD2 . 25995 1 93 . 1 1 9 9 PRO HD3 H 1 3.564 0.003 . 2 . . . . 9 PRO HD3 . 25995 1 94 . 1 1 9 9 PRO C C 13 171.923 0.003 . 1 . . . . 9 PRO C . 25995 1 95 . 1 1 9 9 PRO CA C 13 63.006 0.057 . 1 . . . . 9 PRO CA . 25995 1 96 . 1 1 9 9 PRO CB C 13 31.631 0.058 . 1 . . . . 9 PRO CB . 25995 1 97 . 1 1 9 9 PRO CG C 13 26.911 0.024 . 1 . . . . 9 PRO CG . 25995 1 98 . 1 1 9 9 PRO CD C 13 50.206 0.048 . 1 . . . . 9 PRO CD . 25995 1 99 . 1 1 10 10 SER H H 1 8.278 0.003 . 1 . . . . 10 SER H . 25995 1 100 . 1 1 10 10 SER HA H 1 4.425 0.006 . 1 . . . . 10 SER HA . 25995 1 101 . 1 1 10 10 SER HB2 H 1 3.848 0.002 . 2 . . . . 10 SER QB . 25995 1 102 . 1 1 10 10 SER HB3 H 1 3.848 0.002 . 2 . . . . 10 SER QB . 25995 1 103 . 1 1 10 10 SER C C 13 174.284 0.003 . 1 . . . . 10 SER C . 25995 1 104 . 1 1 10 10 SER CA C 13 58.052 0.025 . 1 . . . . 10 SER CA . 25995 1 105 . 1 1 10 10 SER CB C 13 63.605 0 . 1 . . . . 10 SER CB . 25995 1 106 . 1 1 10 10 SER N N 15 115.408 0.057 . 1 . . . . 10 SER N . 25995 1 107 . 1 1 11 11 LEU H H 1 8.244 0.002 . 1 . . . . 11 LEU H . 25995 1 108 . 1 1 11 11 LEU HA H 1 4.382 0.002 . 1 . . . . 11 LEU HA . 25995 1 109 . 1 1 11 11 LEU HB2 H 1 1.585 0.01 . 2 . . . . 11 LEU QB . 25995 1 110 . 1 1 11 11 LEU HB3 H 1 1.585 0.01 . 2 . . . . 11 LEU QB . 25995 1 111 . 1 1 11 11 LEU HG H 1 1.587 0 . 1 . . . . 11 LEU HG . 25995 1 112 . 1 1 11 11 LEU HD11 H 1 0.887 0.002 . 2 . . . . 11 LEU QD1 . 25995 1 113 . 1 1 11 11 LEU HD12 H 1 0.887 0.002 . 2 . . . . 11 LEU QD1 . 25995 1 114 . 1 1 11 11 LEU HD13 H 1 0.887 0.002 . 2 . . . . 11 LEU QD1 . 25995 1 115 . 1 1 11 11 LEU HD21 H 1 0.835 0 . 2 . . . . 11 LEU QD2 . 25995 1 116 . 1 1 11 11 LEU HD22 H 1 0.835 0 . 2 . . . . 11 LEU QD2 . 25995 1 117 . 1 1 11 11 LEU HD23 H 1 0.835 0 . 2 . . . . 11 LEU QD2 . 25995 1 118 . 1 1 11 11 LEU C C 13 171.699 0.002 . 1 . . . . 11 LEU C . 25995 1 119 . 1 1 11 11 LEU CA C 13 54.708 0.057 . 1 . . . . 11 LEU CA . 25995 1 120 . 1 1 11 11 LEU CB C 13 41.986 0.093 . 1 . . . . 11 LEU CB . 25995 1 121 . 1 1 11 11 LEU CG C 13 26.708 0.145 . 1 . . . . 11 LEU CG . 25995 1 122 . 1 1 11 11 LEU CD1 C 13 24.449 0.051 . 2 . . . . 11 LEU CD1 . 25995 1 123 . 1 1 11 11 LEU CD2 C 13 23.02 0.001 . 2 . . . . 11 LEU CD2 . 25995 1 124 . 1 1 11 11 LEU N N 15 124.082 0.052 . 1 . . . . 11 LEU N . 25995 1 125 . 1 1 12 12 VAL H H 1 8.116 0.003 . 1 . . . . 12 VAL H . 25995 1 126 . 1 1 12 12 VAL HA H 1 4.366 0.002 . 1 . . . . 12 VAL HA . 25995 1 127 . 1 1 12 12 VAL HB H 1 2.042 0.003 . 1 . . . . 12 VAL HB . 25995 1 128 . 1 1 12 12 VAL HG11 H 1 0.931 0.007 . 2 . . . . 12 VAL QG1 . 25995 1 129 . 1 1 12 12 VAL HG12 H 1 0.931 0.007 . 2 . . . . 12 VAL QG1 . 25995 1 130 . 1 1 12 12 VAL HG13 H 1 0.931 0.007 . 2 . . . . 12 VAL QG1 . 25995 1 131 . 1 1 12 12 VAL C C 13 174.155 0 . 1 . . . . 12 VAL C . 25995 1 132 . 1 1 12 12 VAL CA C 13 59.551 0.046 . 1 . . . . 12 VAL CA . 25995 1 133 . 1 1 12 12 VAL CB C 13 32.071 0.077 . 1 . . . . 12 VAL CB . 25995 1 134 . 1 1 12 12 VAL CG1 C 13 20.46 0.059 . 2 . . . . 12 VAL CG1 . 25995 1 135 . 1 1 12 12 VAL N N 15 122.627 0.056 . 1 . . . . 12 VAL N . 25995 1 136 . 1 1 13 13 PRO HA H 1 4.478 0.002 . 1 . . . . 13 PRO HA . 25995 1 137 . 1 1 13 13 PRO HB2 H 1 2.004 0.008 . 2 . . . . 13 PRO HB2 . 25995 1 138 . 1 1 13 13 PRO HB3 H 1 2.305 0.005 . 2 . . . . 13 PRO HB3 . 25995 1 139 . 1 1 13 13 PRO HG2 H 1 2.037 0.003 . 2 . . . . 13 PRO QG . 25995 1 140 . 1 1 13 13 PRO HG3 H 1 2.037 0.003 . 2 . . . . 13 PRO QG . 25995 1 141 . 1 1 13 13 PRO HD2 H 1 3.601 0.002 . 2 . . . . 13 PRO HD2 . 25995 1 142 . 1 1 13 13 PRO HD3 H 1 3.569 0.003 . 2 . . . . 13 PRO HD3 . 25995 1 143 . 1 1 13 13 PRO C C 13 171.233 0.002 . 1 . . . . 13 PRO C . 25995 1 144 . 1 1 13 13 PRO CA C 13 63.112 0.07 . 1 . . . . 13 PRO CA . 25995 1 145 . 1 1 13 13 PRO CB C 13 31.709 0.062 . 1 . . . . 13 PRO CB . 25995 1 146 . 1 1 13 13 PRO CG C 13 26.659 0.037 . 1 . . . . 13 PRO CG . 25995 1 147 . 1 1 13 13 PRO CD C 13 49.22 0.039 . 1 . . . . 13 PRO CD . 25995 1 148 . 1 1 14 14 GLY H H 1 8.613 0.004 . 1 . . . . 14 GLY H . 25995 1 149 . 1 1 14 14 GLY HA2 H 1 3.979 0.018 . 2 . . . . 14 GLY QA . 25995 1 150 . 1 1 14 14 GLY HA3 H 1 3.979 0.018 . 2 . . . . 14 GLY QA . 25995 1 151 . 1 1 14 14 GLY C C 13 174.369 0.092 . 1 . . . . 14 GLY C . 25995 1 152 . 1 1 14 14 GLY CA C 13 45.013 0.036 . 1 . . . . 14 GLY CA . 25995 1 153 . 1 1 14 14 GLY N N 15 109.825 0.043 . 1 . . . . 14 GLY N . 25995 1 154 . 1 1 15 15 SER H H 1 8.136 0.002 . 1 . . . . 15 SER H . 25995 1 155 . 1 1 15 15 SER HA H 1 4.417 0.007 . 1 . . . . 15 SER HA . 25995 1 156 . 1 1 15 15 SER HB2 H 1 3.86 0.002 . 2 . . . . 15 SER QB . 25995 1 157 . 1 1 15 15 SER HB3 H 1 3.86 0.002 . 2 . . . . 15 SER QB . 25995 1 158 . 1 1 15 15 SER C C 13 173.885 0.008 . 1 . . . . 15 SER C . 25995 1 159 . 1 1 15 15 SER CA C 13 58.234 0.034 . 1 . . . . 15 SER CA . 25995 1 160 . 1 1 15 15 SER CB C 13 63.803 0.011 . 1 . . . . 15 SER CB . 25995 1 161 . 1 1 15 15 SER N N 15 115.443 0.073 . 1 . . . . 15 SER N . 25995 1 162 . 1 1 16 16 ARG H H 1 8.455 0.003 . 1 . . . . 16 ARG H . 25995 1 163 . 1 1 16 16 ARG HA H 1 4.334 0.002 . 1 . . . . 16 ARG HA . 25995 1 164 . 1 1 16 16 ARG HB2 H 1 1.748 0.002 . 2 . . . . 16 ARG HB2 . 25995 1 165 . 1 1 16 16 ARG HB3 H 1 1.868 0.003 . 2 . . . . 16 ARG HB3 . 25995 1 166 . 1 1 16 16 ARG HG2 H 1 1.613 0.008 . 2 . . . . 16 ARG QG . 25995 1 167 . 1 1 16 16 ARG HG3 H 1 1.613 0.008 . 2 . . . . 16 ARG QG . 25995 1 168 . 1 1 16 16 ARG HD2 H 1 3.159 0.002 . 2 . . . . 16 ARG QD . 25995 1 169 . 1 1 16 16 ARG HD3 H 1 3.159 0.002 . 2 . . . . 16 ARG QD . 25995 1 170 . 1 1 16 16 ARG C C 13 171.905 0.007 . 1 . . . . 16 ARG C . 25995 1 171 . 1 1 16 16 ARG CA C 13 55.989 0.06 . 1 . . . . 16 ARG CA . 25995 1 172 . 1 1 16 16 ARG CB C 13 30.165 0.044 . 1 . . . . 16 ARG CB . 25995 1 173 . 1 1 16 16 ARG CG C 13 26.645 0.042 . 1 . . . . 16 ARG CG . 25995 1 174 . 1 1 16 16 ARG CD C 13 42.898 0.031 . 1 . . . . 16 ARG CD . 25995 1 175 . 1 1 16 16 ARG N N 15 122.76 0.046 . 1 . . . . 16 ARG N . 25995 1 176 . 1 1 17 17 GLY H H 1 8.353 0.004 . 1 . . . . 17 GLY H . 25995 1 177 . 1 1 17 17 GLY HA2 H 1 3.905 0 . 2 . . . . 17 GLY QA . 25995 1 178 . 1 1 17 17 GLY HA3 H 1 3.905 0 . 2 . . . . 17 GLY QA . 25995 1 179 . 1 1 17 17 GLY C C 13 174.904 0.023 . 1 . . . . 17 GLY C . 25995 1 180 . 1 1 17 17 GLY CA C 13 44.957 0.069 . 1 . . . . 17 GLY CA . 25995 1 181 . 1 1 17 17 GLY N N 15 109.771 0.057 . 1 . . . . 17 GLY N . 25995 1 182 . 1 1 18 18 ALA H H 1 8.151 0.004 . 1 . . . . 18 ALA H . 25995 1 183 . 1 1 18 18 ALA HA H 1 4.298 0.007 . 1 . . . . 18 ALA HA . 25995 1 184 . 1 1 18 18 ALA HB1 H 1 1.334 0.001 . 1 . . . . 18 ALA QB . 25995 1 185 . 1 1 18 18 ALA HB2 H 1 1.334 0.001 . 1 . . . . 18 ALA QB . 25995 1 186 . 1 1 18 18 ALA HB3 H 1 1.334 0.001 . 1 . . . . 18 ALA QB . 25995 1 187 . 1 1 18 18 ALA C C 13 170.856 0.028 . 1 . . . . 18 ALA C . 25995 1 188 . 1 1 18 18 ALA CA C 13 52.155 0.061 . 1 . . . . 18 ALA CA . 25995 1 189 . 1 1 18 18 ALA CB C 13 19.008 0.033 . 1 . . . . 18 ALA CB . 25995 1 190 . 1 1 18 18 ALA N N 15 123.733 0.06 . 1 . . . . 18 ALA N . 25995 1 191 . 1 1 19 19 SER H H 1 8.275 0.002 . 1 . . . . 19 SER H . 25995 1 192 . 1 1 19 19 SER HA H 1 4.328 0.003 . 1 . . . . 19 SER HA . 25995 1 193 . 1 1 19 19 SER HB2 H 1 3.773 0.004 . 2 . . . . 19 SER QB . 25995 1 194 . 1 1 19 19 SER HB3 H 1 3.773 0.004 . 2 . . . . 19 SER QB . 25995 1 195 . 1 1 19 19 SER C C 13 174.568 0.003 . 1 . . . . 19 SER C . 25995 1 196 . 1 1 19 19 SER CA C 13 58.011 0.055 . 1 . . . . 19 SER CA . 25995 1 197 . 1 1 19 19 SER CB C 13 63.499 0.129 . 1 . . . . 19 SER CB . 25995 1 198 . 1 1 19 19 SER N N 15 114.784 0.057 . 1 . . . . 19 SER N . 25995 1 199 . 1 1 20 20 ASN H H 1 8.173 0.002 . 1 . . . . 20 ASN H . 25995 1 200 . 1 1 20 20 ASN HA H 1 4.511 0.001 . 1 . . . . 20 ASN HA . 25995 1 201 . 1 1 20 20 ASN HB2 H 1 2.498 0.002 . 2 . . . . 20 ASN QB . 25995 1 202 . 1 1 20 20 ASN HB3 H 1 2.498 0.002 . 2 . . . . 20 ASN QB . 25995 1 203 . 1 1 20 20 ASN HD21 H 1 6.801 0.004 . 2 . . . . 20 ASN HD21 . 25995 1 204 . 1 1 20 20 ASN HD22 H 1 7.403 0.002 . 2 . . . . 20 ASN HD22 . 25995 1 205 . 1 1 20 20 ASN C C 13 174.38 0.004 . 1 . . . . 20 ASN C . 25995 1 206 . 1 1 20 20 ASN CA C 13 52.705 0.065 . 1 . . . . 20 ASN CA . 25995 1 207 . 1 1 20 20 ASN CB C 13 38.392 0.039 . 1 . . . . 20 ASN CB . 25995 1 208 . 1 1 20 20 ASN N N 15 120.36 0.041 . 1 . . . . 20 ASN N . 25995 1 209 . 1 1 20 20 ASN ND2 N 15 112.498 0.106 . 1 . . . . 20 ASN ND2 . 25995 1 210 . 1 1 21 21 LYS H H 1 7.99 0.002 . 1 . . . A 21 LYS H . 25995 1 211 . 1 1 21 21 LYS HA H 1 4.048 0.002 . 1 . . . A 21 LYS HA . 25995 1 212 . 1 1 21 21 LYS HB2 H 1 1.474 0.003 . 2 . . . A 21 LYS HB2 . 25995 1 213 . 1 1 21 21 LYS HB3 H 1 1.585 0.003 . 2 . . . A 21 LYS HB3 . 25995 1 214 . 1 1 21 21 LYS HG2 H 1 1.158 0.003 . 2 . . . A 21 LYS HG2 . 25995 1 215 . 1 1 21 21 LYS HG3 H 1 1.158 0.003 . 2 . . . A 21 LYS HG3 . 25995 1 216 . 1 1 21 21 LYS HD2 H 1 1.507 0.001 . 2 . . . A 21 LYS HD2 . 25995 1 217 . 1 1 21 21 LYS HD3 H 1 1.507 0.001 . 2 . . . A 21 LYS HD3 . 25995 1 218 . 1 1 21 21 LYS HE2 H 1 2.861 0.001 . 2 . . . A 21 LYS HE2 . 25995 1 219 . 1 1 21 21 LYS HE3 H 1 2.861 0.001 . 2 . . . A 21 LYS HE3 . 25995 1 220 . 1 1 21 21 LYS C C 13 172.86 0.005 . 1 . . . A 21 LYS C . 25995 1 221 . 1 1 21 21 LYS CA C 13 55.569 0.045 . 1 . . . A 21 LYS CA . 25995 1 222 . 1 1 21 21 LYS CB C 13 32.479 0.055 . 1 . . . A 21 LYS CB . 25995 1 223 . 1 1 21 21 LYS CG C 13 23.926 0.026 . 1 . . . A 21 LYS CG . 25995 1 224 . 1 1 21 21 LYS CD C 13 28.497 0.032 . 1 . . . A 21 LYS CD . 25995 1 225 . 1 1 21 21 LYS CE C 13 41.603 0 . 1 . . . A 21 LYS CE . 25995 1 226 . 1 1 21 21 LYS N N 15 120.793 0.058 . 1 . . . A 21 LYS N . 25995 1 227 . 1 1 22 22 TYR H H 1 8.167 0.004 . 1 . . . A 22 TYR H . 25995 1 228 . 1 1 22 22 TYR HA H 1 4.917 0.003 . 1 . . . A 22 TYR HA . 25995 1 229 . 1 1 22 22 TYR HB2 H 1 2.62 0.002 . 2 . . . A 22 TYR HB2 . 25995 1 230 . 1 1 22 22 TYR HB3 H 1 3.099 0 . 2 . . . A 22 TYR HB3 . 25995 1 231 . 1 1 22 22 TYR C C 13 172.329 0.016 . 1 . . . A 22 TYR C . 25995 1 232 . 1 1 22 22 TYR CA C 13 54.594 0.077 . 1 . . . A 22 TYR CA . 25995 1 233 . 1 1 22 22 TYR CB C 13 37.194 0.008 . 1 . . . A 22 TYR CB . 25995 1 234 . 1 1 22 22 TYR N N 15 122.247 0.048 . 1 . . . A 22 TYR N . 25995 1 235 . 1 1 23 23 LEU H H 1 8.62 0.006 . 1 . . . A 23 LEU H . 25995 1 236 . 1 1 23 23 LEU HA H 1 3.932 0.003 . 1 . . . A 23 LEU HA . 25995 1 237 . 1 1 23 23 LEU HB2 H 1 0.449 0.008 . 2 . . . A 23 LEU HB2 . 25995 1 238 . 1 1 23 23 LEU HB3 H 1 1.023 0.006 . 2 . . . A 23 LEU HB3 . 25995 1 239 . 1 1 23 23 LEU HG H 1 1.597 0.003 . 1 . . . A 23 LEU HG . 25995 1 240 . 1 1 23 23 LEU HD11 H 1 0.635 0.002 . 2 . . . A 23 LEU HD11 . 25995 1 241 . 1 1 23 23 LEU HD12 H 1 0.635 0.002 . 2 . . . A 23 LEU HD12 . 25995 1 242 . 1 1 23 23 LEU HD13 H 1 0.635 0.002 . 2 . . . A 23 LEU HD13 . 25995 1 243 . 1 1 23 23 LEU HD21 H 1 0.565 0.001 . 2 . . . A 23 LEU HD21 . 25995 1 244 . 1 1 23 23 LEU HD22 H 1 0.565 0.001 . 2 . . . A 23 LEU HD22 . 25995 1 245 . 1 1 23 23 LEU HD23 H 1 0.565 0.001 . 2 . . . A 23 LEU HD23 . 25995 1 246 . 1 1 23 23 LEU C C 13 171.777 0.019 . 1 . . . A 23 LEU C . 25995 1 247 . 1 1 23 23 LEU CA C 13 56.758 0.05 . 1 . . . A 23 LEU CA . 25995 1 248 . 1 1 23 23 LEU CB C 13 40.819 0.157 . 1 . . . A 23 LEU CB . 25995 1 249 . 1 1 23 23 LEU CG C 13 26.282 0 . 1 . . . A 23 LEU CG . 25995 1 250 . 1 1 23 23 LEU CD1 C 13 21.753 0.052 . 2 . . . A 23 LEU CD1 . 25995 1 251 . 1 1 23 23 LEU CD2 C 13 25.201 0.037 . 2 . . . A 23 LEU CD2 . 25995 1 252 . 1 1 23 23 LEU N N 15 123.244 0.047 . 1 . . . A 23 LEU N . 25995 1 253 . 1 1 24 24 VAL H H 1 7.068 0.006 . 1 . . . A 24 VAL H . 25995 1 254 . 1 1 24 24 VAL HA H 1 4.365 0.003 . 1 . . . A 24 VAL HA . 25995 1 255 . 1 1 24 24 VAL HB H 1 2.083 0.005 . 1 . . . A 24 VAL HB . 25995 1 256 . 1 1 24 24 VAL HG11 H 1 1.095 0.002 . 2 . . . A 24 VAL HG11 . 25995 1 257 . 1 1 24 24 VAL HG12 H 1 1.095 0.002 . 2 . . . A 24 VAL HG12 . 25995 1 258 . 1 1 24 24 VAL HG13 H 1 1.095 0.002 . 2 . . . A 24 VAL HG13 . 25995 1 259 . 1 1 24 24 VAL HG21 H 1 0.862 0.002 . 2 . . . A 24 VAL HG21 . 25995 1 260 . 1 1 24 24 VAL HG22 H 1 0.862 0.002 . 2 . . . A 24 VAL HG22 . 25995 1 261 . 1 1 24 24 VAL HG23 H 1 0.862 0.002 . 2 . . . A 24 VAL HG23 . 25995 1 262 . 1 1 24 24 VAL C C 13 176.66 0.008 . 1 . . . A 24 VAL C . 25995 1 263 . 1 1 24 24 VAL CA C 13 60.016 0.083 . 1 . . . A 24 VAL CA . 25995 1 264 . 1 1 24 24 VAL CB C 13 34.361 0.119 . 1 . . . A 24 VAL CB . 25995 1 265 . 1 1 24 24 VAL CG1 C 13 22.152 0.042 . 2 . . . A 24 VAL CG1 . 25995 1 266 . 1 1 24 24 VAL CG2 C 13 19.959 0.045 . 2 . . . A 24 VAL CG2 . 25995 1 267 . 1 1 24 24 VAL N N 15 112.394 0.042 . 1 . . . A 24 VAL N . 25995 1 268 . 1 1 25 25 GLU H H 1 8.125 0.003 . 1 . . . A 25 GLU H . 25995 1 269 . 1 1 25 25 GLU HA H 1 5.291 0.004 . 1 . . . A 25 GLU HA . 25995 1 270 . 1 1 25 25 GLU HB2 H 1 1.804 0.003 . 2 . . . A 25 GLU HB2 . 25995 1 271 . 1 1 25 25 GLU HB3 H 1 1.929 0.002 . 2 . . . A 25 GLU HB3 . 25995 1 272 . 1 1 25 25 GLU HG2 H 1 2.028 0.002 . 2 . . . A 25 GLU HG2 . 25995 1 273 . 1 1 25 25 GLU HG3 H 1 1.923 0.005 . 2 . . . A 25 GLU HG3 . 25995 1 274 . 1 1 25 25 GLU C C 13 174.542 0.02 . 1 . . . A 25 GLU C . 25995 1 275 . 1 1 25 25 GLU CA C 13 54.314 0.075 . 1 . . . A 25 GLU CA . 25995 1 276 . 1 1 25 25 GLU CB C 13 32.799 0.075 . 1 . . . A 25 GLU CB . 25995 1 277 . 1 1 25 25 GLU CG C 13 35.102 0.05 . 1 . . . A 25 GLU CG . 25995 1 278 . 1 1 25 25 GLU N N 15 123.276 0.071 . 1 . . . A 25 GLU N . 25995 1 279 . 1 1 26 26 PHE H H 1 8.358 0.002 . 1 . . . A 26 PHE H . 25995 1 280 . 1 1 26 26 PHE HA H 1 4.563 0.006 . 1 . . . A 26 PHE HA . 25995 1 281 . 1 1 26 26 PHE HB2 H 1 2.279 0 . 2 . . . A 26 PHE HB2 . 25995 1 282 . 1 1 26 26 PHE HB3 H 1 2.439 0 . 2 . . . A 26 PHE HB3 . 25995 1 283 . 1 1 26 26 PHE C C 13 175.569 0 . 1 . . . A 26 PHE C . 25995 1 284 . 1 1 26 26 PHE CA C 13 55.958 0.037 . 1 . . . A 26 PHE CA . 25995 1 285 . 1 1 26 26 PHE CB C 13 38.235 0.055 . 1 . . . A 26 PHE CB . 25995 1 286 . 1 1 26 26 PHE N N 15 115.635 0.051 . 1 . . . A 26 PHE N . 25995 1 287 . 1 1 27 27 ARG H H 1 9.963 0.014 . 1 . . . A 27 ARG H . 25995 1 288 . 1 1 27 27 ARG C C 13 172.519 0.005 . 1 . . . A 27 ARG C . 25995 1 289 . 1 1 27 27 ARG CA C 13 56.365 0.033 . 1 . . . A 27 ARG CA . 25995 1 290 . 1 1 27 27 ARG CB C 13 30.11 0.025 . 1 . . . A 27 ARG CB . 25995 1 291 . 1 1 27 27 ARG N N 15 120.935 0.036 . 1 . . . A 27 ARG N . 25995 1 292 . 1 1 28 28 ALA H H 1 7.934 0.002 . 1 . . . A 28 ALA H . 25995 1 293 . 1 1 28 28 ALA HA H 1 4.688 0.003 . 1 . . . A 28 ALA HA . 25995 1 294 . 1 1 28 28 ALA HB1 H 1 1.562 0.001 . 1 . . . A 28 ALA HB1 . 25995 1 295 . 1 1 28 28 ALA HB2 H 1 1.562 0.001 . 1 . . . A 28 ALA HB2 . 25995 1 296 . 1 1 28 28 ALA HB3 H 1 1.562 0.001 . 1 . . . A 28 ALA HB3 . 25995 1 297 . 1 1 28 28 ALA C C 13 172.812 0.013 . 1 . . . A 28 ALA C . 25995 1 298 . 1 1 28 28 ALA CA C 13 52.252 0.062 . 1 . . . A 28 ALA CA . 25995 1 299 . 1 1 28 28 ALA CB C 13 21.898 0.036 . 1 . . . A 28 ALA CB . 25995 1 300 . 1 1 28 28 ALA N N 15 126.264 0.021 . 1 . . . A 28 ALA N . 25995 1 301 . 1 1 29 29 GLY H H 1 8.87 0.003 . 1 . . . A 29 GLY H . 25995 1 302 . 1 1 29 29 GLY C C 13 174.984 0 . 1 . . . A 29 GLY C . 25995 1 303 . 1 1 29 29 GLY CA C 13 42.999 0.028 . 1 . . . A 29 GLY CA . 25995 1 304 . 1 1 29 29 GLY N N 15 108.904 0.034 . 1 . . . A 29 GLY N . 25995 1 305 . 1 1 30 30 LYS H H 1 9.299 0.004 . 1 . . . A 30 LYS H . 25995 1 306 . 1 1 30 30 LYS HA H 1 4.694 0.003 . 1 . . . A 30 LYS HA . 25995 1 307 . 1 1 30 30 LYS HB2 H 1 1.065 0 . 2 . . . A 30 LYS HB2 . 25995 1 308 . 1 1 30 30 LYS HB3 H 1 1.288 0 . 2 . . . A 30 LYS HB3 . 25995 1 309 . 1 1 30 30 LYS HG2 H 1 -0.103 0.003 . 2 . . . A 30 LYS HG2 . 25995 1 310 . 1 1 30 30 LYS HG3 H 1 0.493 0.01 . 2 . . . A 30 LYS HG3 . 25995 1 311 . 1 1 30 30 LYS HD2 H 1 0.802 0.004 . 2 . . . A 30 LYS HD2 . 25995 1 312 . 1 1 30 30 LYS HD3 H 1 0.694 0.004 . 2 . . . A 30 LYS HD3 . 25995 1 313 . 1 1 30 30 LYS HE2 H 1 2.185 0.003 . 2 . . . A 30 LYS HE2 . 25995 1 314 . 1 1 30 30 LYS HE3 H 1 1.835 0.003 . 2 . . . A 30 LYS HE3 . 25995 1 315 . 1 1 30 30 LYS C C 13 172.133 0.014 . 1 . . . A 30 LYS C . 25995 1 316 . 1 1 30 30 LYS CA C 13 55.857 0.057 . 1 . . . A 30 LYS CA . 25995 1 317 . 1 1 30 30 LYS CB C 13 33.53 0 . 1 . . . A 30 LYS CB . 25995 1 318 . 1 1 30 30 LYS CG C 13 24.508 0.021 . 1 . . . A 30 LYS CG . 25995 1 319 . 1 1 30 30 LYS CD C 13 28.427 0.015 . 1 . . . A 30 LYS CD . 25995 1 320 . 1 1 30 30 LYS CE C 13 40.047 0.025 . 1 . . . A 30 LYS CE . 25995 1 321 . 1 1 30 30 LYS N N 15 119.216 0.075 . 1 . . . A 30 LYS N . 25995 1 322 . 1 1 31 31 MET H H 1 7.38 0.003 . 1 . . . A 31 MET H . 25995 1 323 . 1 1 31 31 MET HA H 1 4.944 0.004 . 1 . . . A 31 MET HA . 25995 1 324 . 1 1 31 31 MET HB2 H 1 1.668 0.006 . 2 . . . A 31 MET HB2 . 25995 1 325 . 1 1 31 31 MET HB3 H 1 1.822 0.003 . 2 . . . A 31 MET HB3 . 25995 1 326 . 1 1 31 31 MET HG2 H 1 2.21 0.005 . 2 . . . A 31 MET HG2 . 25995 1 327 . 1 1 31 31 MET HG3 H 1 2.263 0.004 . 2 . . . A 31 MET HG3 . 25995 1 328 . 1 1 31 31 MET HE1 H 1 1.597 0 . 1 . . . A 31 MET HE1 . 25995 1 329 . 1 1 31 31 MET HE2 H 1 1.597 0 . 1 . . . A 31 MET HE2 . 25995 1 330 . 1 1 31 31 MET HE3 H 1 1.597 0 . 1 . . . A 31 MET HE3 . 25995 1 331 . 1 1 31 31 MET C C 13 174.228 0.01 . 1 . . . A 31 MET C . 25995 1 332 . 1 1 31 31 MET CA C 13 53.733 0.102 . 1 . . . A 31 MET CA . 25995 1 333 . 1 1 31 31 MET CB C 13 35.255 0.065 . 1 . . . A 31 MET CB . 25995 1 334 . 1 1 31 31 MET CG C 13 32.115 0.019 . 1 . . . A 31 MET CG . 25995 1 335 . 1 1 31 31 MET CE C 13 17.725 0 . 1 . . . A 31 MET CE . 25995 1 336 . 1 1 31 31 MET N N 15 115.539 0.044 . 1 . . . A 31 MET N . 25995 1 337 . 1 1 32 32 SER H H 1 8.668 0.004 . 1 . . . A 32 SER H . 25995 1 338 . 1 1 32 32 SER HA H 1 4.709 0.007 . 1 . . . A 32 SER HA . 25995 1 339 . 1 1 32 32 SER HB2 H 1 3.732 0.003 . 2 . . . A 32 SER HB2 . 25995 1 340 . 1 1 32 32 SER HB3 H 1 3.732 0.003 . 2 . . . A 32 SER HB3 . 25995 1 341 . 1 1 32 32 SER C C 13 176.197 0.019 . 1 . . . A 32 SER C . 25995 1 342 . 1 1 32 32 SER CA C 13 56.609 0.059 . 1 . . . A 32 SER CA . 25995 1 343 . 1 1 32 32 SER CB C 13 64.77 0.1 . 1 . . . A 32 SER CB . 25995 1 344 . 1 1 32 32 SER N N 15 116.681 0.049 . 1 . . . A 32 SER N . 25995 1 345 . 1 1 33 33 LEU H H 1 8.519 0.003 . 1 . . . A 33 LEU H . 25995 1 346 . 1 1 33 33 LEU HA H 1 4.625 0.003 . 1 . . . A 33 LEU HA . 25995 1 347 . 1 1 33 33 LEU HB2 H 1 1.071 0.008 . 2 . . . A 33 LEU HB2 . 25995 1 348 . 1 1 33 33 LEU HB3 H 1 1.472 0.005 . 2 . . . A 33 LEU HB3 . 25995 1 349 . 1 1 33 33 LEU HG H 1 1.233 0.005 . 1 . . . A 33 LEU HG . 25995 1 350 . 1 1 33 33 LEU HD11 H 1 0.689 0.003 . 2 . . . A 33 LEU HD11 . 25995 1 351 . 1 1 33 33 LEU HD12 H 1 0.689 0.003 . 2 . . . A 33 LEU HD12 . 25995 1 352 . 1 1 33 33 LEU HD13 H 1 0.689 0.003 . 2 . . . A 33 LEU HD13 . 25995 1 353 . 1 1 33 33 LEU HD21 H 1 0.525 0.005 . 2 . . . A 33 LEU HD21 . 25995 1 354 . 1 1 33 33 LEU HD22 H 1 0.525 0.005 . 2 . . . A 33 LEU HD22 . 25995 1 355 . 1 1 33 33 LEU HD23 H 1 0.525 0.005 . 2 . . . A 33 LEU HD23 . 25995 1 356 . 1 1 33 33 LEU C C 13 172.724 0.007 . 1 . . . A 33 LEU C . 25995 1 357 . 1 1 33 33 LEU CA C 13 54.165 0.061 . 1 . . . A 33 LEU CA . 25995 1 358 . 1 1 33 33 LEU CB C 13 42.969 0.127 . 1 . . . A 33 LEU CB . 25995 1 359 . 1 1 33 33 LEU CG C 13 27.171 0.029 . 1 . . . A 33 LEU CG . 25995 1 360 . 1 1 33 33 LEU CD1 C 13 24.942 0.028 . 2 . . . A 33 LEU CD1 . 25995 1 361 . 1 1 33 33 LEU CD2 C 13 23.67 0.031 . 2 . . . A 33 LEU CD2 . 25995 1 362 . 1 1 33 33 LEU N N 15 126.101 0.045 . 1 . . . A 33 LEU N . 25995 1 363 . 1 1 34 34 LYS H H 1 8.314 0.002 . 1 . . . A 34 LYS H . 25995 1 364 . 1 1 34 34 LYS HA H 1 4.432 0.004 . 1 . . . A 34 LYS HA . 25995 1 365 . 1 1 34 34 LYS HB2 H 1 1.602 0.004 . 2 . . . A 34 LYS HB2 . 25995 1 366 . 1 1 34 34 LYS HB3 H 1 1.71 0.002 . 2 . . . A 34 LYS HB3 . 25995 1 367 . 1 1 34 34 LYS HG2 H 1 1.332 0.004 . 2 . . . A 34 LYS HG2 . 25995 1 368 . 1 1 34 34 LYS HG3 H 1 1.259 0.003 . 2 . . . A 34 LYS HG3 . 25995 1 369 . 1 1 34 34 LYS HD2 H 1 1.638 0.003 . 2 . . . A 34 LYS HD2 . 25995 1 370 . 1 1 34 34 LYS HD3 H 1 1.638 0.003 . 2 . . . A 34 LYS HD3 . 25995 1 371 . 1 1 34 34 LYS HE2 H 1 2.934 0.001 . 2 . . . A 34 LYS HE2 . 25995 1 372 . 1 1 34 34 LYS HE3 H 1 2.934 0.001 . 2 . . . A 34 LYS HE3 . 25995 1 373 . 1 1 34 34 LYS C C 13 172.385 0.017 . 1 . . . A 34 LYS C . 25995 1 374 . 1 1 34 34 LYS CA C 13 55.093 0.06 . 1 . . . A 34 LYS CA . 25995 1 375 . 1 1 34 34 LYS CB C 13 32.873 0.08 . 1 . . . A 34 LYS CB . 25995 1 376 . 1 1 34 34 LYS CG C 13 24.154 0.03 . 1 . . . A 34 LYS CG . 25995 1 377 . 1 1 34 34 LYS CD C 13 28.702 0.088 . 1 . . . A 34 LYS CD . 25995 1 378 . 1 1 34 34 LYS CE C 13 41.675 0.048 . 1 . . . A 34 LYS CE . 25995 1 379 . 1 1 34 34 LYS N N 15 127.511 0.045 . 1 . . . A 34 LYS N . 25995 1 380 . 1 1 35 35 GLY H H 1 8.919 0.013 . 1 . . . A 35 GLY H . 25995 1 381 . 1 1 35 35 GLY HA2 H 1 3.638 0 . 2 . . . A 35 GLY HA2 . 25995 1 382 . 1 1 35 35 GLY HA3 H 1 4.13 0.001 . 2 . . . A 35 GLY HA3 . 25995 1 383 . 1 1 35 35 GLY C C 13 174.126 0 . 1 . . . A 35 GLY C . 25995 1 384 . 1 1 35 35 GLY CA C 13 46.692 0.04 . 1 . . . A 35 GLY CA . 25995 1 385 . 1 1 35 35 GLY N N 15 116.88 0.035 . 1 . . . A 35 GLY N . 25995 1 386 . 1 1 36 36 THR H H 1 8.677 0.003 . 1 . . . A 36 THR H . 25995 1 387 . 1 1 36 36 THR HA H 1 4.311 0.005 . 1 . . . A 36 THR HA . 25995 1 388 . 1 1 36 36 THR HB H 1 4.511 0.004 . 1 . . . A 36 THR HB . 25995 1 389 . 1 1 36 36 THR HG21 H 1 1.153 0.002 . 1 . . . A 36 THR HG21 . 25995 1 390 . 1 1 36 36 THR HG22 H 1 1.153 0.002 . 1 . . . A 36 THR HG22 . 25995 1 391 . 1 1 36 36 THR HG23 H 1 1.153 0.002 . 1 . . . A 36 THR HG23 . 25995 1 392 . 1 1 36 36 THR C C 13 174.269 0.061 . 1 . . . A 36 THR C . 25995 1 393 . 1 1 36 36 THR CA C 13 61.125 0.139 . 1 . . . A 36 THR CA . 25995 1 394 . 1 1 36 36 THR CB C 13 68.606 0.116 . 1 . . . A 36 THR CB . 25995 1 395 . 1 1 36 36 THR CG2 C 13 21.118 0.077 . 1 . . . A 36 THR CG2 . 25995 1 396 . 1 1 36 36 THR N N 15 117.492 0.092 . 1 . . . A 36 THR N . 25995 1 397 . 1 1 37 37 THR H H 1 8.098 0.005 . 1 . . . A 37 THR H . 25995 1 398 . 1 1 37 37 THR HA H 1 4.396 0.006 . 1 . . . A 37 THR HA . 25995 1 399 . 1 1 37 37 THR HB H 1 4.143 0.003 . 1 . . . A 37 THR HB . 25995 1 400 . 1 1 37 37 THR HG21 H 1 1.098 0.001 . 1 . . . A 37 THR HG21 . 25995 1 401 . 1 1 37 37 THR HG22 H 1 1.098 0.001 . 1 . . . A 37 THR HG22 . 25995 1 402 . 1 1 37 37 THR HG23 H 1 1.098 0.001 . 1 . . . A 37 THR HG23 . 25995 1 403 . 1 1 37 37 THR C C 13 174.97 0 . 1 . . . A 37 THR C . 25995 1 404 . 1 1 37 37 THR CA C 13 61.645 0.101 . 1 . . . A 37 THR CA . 25995 1 405 . 1 1 37 37 THR CB C 13 69.902 0.034 . 1 . . . A 37 THR CB . 25995 1 406 . 1 1 37 37 THR CG2 C 13 21.038 0.038 . 1 . . . A 37 THR CG2 . 25995 1 407 . 1 1 37 37 THR N N 15 118.649 0.076 . 1 . . . A 37 THR N . 25995 1 408 . 1 1 38 38 VAL HA H 1 4.507 0.002 . 1 . . . A 38 VAL HA . 25995 1 409 . 1 1 38 38 VAL HB H 1 1.663 0.004 . 1 . . . A 38 VAL HB . 25995 1 410 . 1 1 38 38 VAL HG11 H 1 0.544 0.003 . 2 . . . A 38 VAL HG11 . 25995 1 411 . 1 1 38 38 VAL HG12 H 1 0.544 0.003 . 2 . . . A 38 VAL HG12 . 25995 1 412 . 1 1 38 38 VAL HG13 H 1 0.544 0.003 . 2 . . . A 38 VAL HG13 . 25995 1 413 . 1 1 38 38 VAL HG21 H 1 0.291 0.005 . 2 . . . A 38 VAL HG21 . 25995 1 414 . 1 1 38 38 VAL HG22 H 1 0.291 0.005 . 2 . . . A 38 VAL HG22 . 25995 1 415 . 1 1 38 38 VAL HG23 H 1 0.291 0.005 . 2 . . . A 38 VAL HG23 . 25995 1 416 . 1 1 38 38 VAL C C 13 173.212 0 . 1 . . . A 38 VAL C . 25995 1 417 . 1 1 38 38 VAL CA C 13 60.599 0.069 . 1 . . . A 38 VAL CA . 25995 1 418 . 1 1 38 38 VAL CB C 13 32.473 0.009 . 1 . . . A 38 VAL CB . 25995 1 419 . 1 1 38 38 VAL CG1 C 13 19.542 0.038 . 2 . . . A 38 VAL CG1 . 25995 1 420 . 1 1 38 38 VAL CG2 C 13 21.317 0.027 . 2 . . . A 38 VAL CG2 . 25995 1 421 . 1 1 39 39 THR H H 1 8.676 0.003 . 1 . . . A 39 THR H . 25995 1 422 . 1 1 39 39 THR HA H 1 4.726 0.001 . 1 . . . A 39 THR HA . 25995 1 423 . 1 1 39 39 THR HB H 1 3.911 0.002 . 1 . . . A 39 THR HB . 25995 1 424 . 1 1 39 39 THR HG21 H 1 1.108 0.003 . 1 . . . A 39 THR HG21 . 25995 1 425 . 1 1 39 39 THR HG22 H 1 1.108 0.003 . 1 . . . A 39 THR HG22 . 25995 1 426 . 1 1 39 39 THR HG23 H 1 1.108 0.003 . 1 . . . A 39 THR HG23 . 25995 1 427 . 1 1 39 39 THR C C 13 176.241 0 . 1 . . . A 39 THR C . 25995 1 428 . 1 1 39 39 THR CA C 13 58.617 0.102 . 1 . . . A 39 THR CA . 25995 1 429 . 1 1 39 39 THR CB C 13 70.659 0.04 . 1 . . . A 39 THR CB . 25995 1 430 . 1 1 39 39 THR CG2 C 13 20.349 0.071 . 1 . . . A 39 THR CG2 . 25995 1 431 . 1 1 39 39 THR N N 15 120.864 0.023 . 1 . . . A 39 THR N . 25995 1 432 . 1 1 40 40 PRO HA H 1 4.389 0.005 . 1 . . . A 40 PRO HA . 25995 1 433 . 1 1 40 40 PRO HB2 H 1 1.032 0.002 . 2 . . . A 40 PRO HB2 . 25995 1 434 . 1 1 40 40 PRO HB3 H 1 1.245 0.003 . 2 . . . A 40 PRO HB3 . 25995 1 435 . 1 1 40 40 PRO HG2 H 1 1.452 0.01 . 2 . . . A 40 PRO HG2 . 25995 1 436 . 1 1 40 40 PRO HG3 H 1 1.789 0.005 . 2 . . . A 40 PRO HG3 . 25995 1 437 . 1 1 40 40 PRO HD2 H 1 3.479 0.006 . 2 . . . A 40 PRO HD2 . 25995 1 438 . 1 1 40 40 PRO HD3 H 1 3.709 0.003 . 2 . . . A 40 PRO HD3 . 25995 1 439 . 1 1 40 40 PRO C C 13 172.768 0 . 1 . . . A 40 PRO C . 25995 1 440 . 1 1 40 40 PRO CA C 13 63.432 0.057 . 1 . . . A 40 PRO CA . 25995 1 441 . 1 1 40 40 PRO CB C 13 30.521 0.04 . 1 . . . A 40 PRO CB . 25995 1 442 . 1 1 40 40 PRO CG C 13 26.523 0.047 . 1 . . . A 40 PRO CG . 25995 1 443 . 1 1 40 40 PRO CD C 13 50.812 0.1 . 1 . . . A 40 PRO CD . 25995 1 444 . 1 1 41 41 ASP H H 1 8.792 0.004 . 1 . . . A 41 ASP H . 25995 1 445 . 1 1 41 41 ASP HA H 1 4.804 0.007 . 1 . . . A 41 ASP HA . 25995 1 446 . 1 1 41 41 ASP HB2 H 1 2.379 0 . 2 . . . A 41 ASP HB2 . 25995 1 447 . 1 1 41 41 ASP HB3 H 1 3.122 0 . 2 . . . A 41 ASP HB3 . 25995 1 448 . 1 1 41 41 ASP C C 13 170.763 0 . 1 . . . A 41 ASP C . 25995 1 449 . 1 1 41 41 ASP CA C 13 53.246 0.056 . 1 . . . A 41 ASP CA . 25995 1 450 . 1 1 41 41 ASP CB C 13 41.612 0.049 . 1 . . . A 41 ASP CB . 25995 1 451 . 1 1 41 41 ASP N N 15 125.951 0.038 . 1 . . . A 41 ASP N . 25995 1 452 . 1 1 42 42 LYS H H 1 8.748 0.007 . 1 . . . A 42 LYS H . 25995 1 453 . 1 1 42 42 LYS HA H 1 4.525 0.007 . 1 . . . A 42 LYS HA . 25995 1 454 . 1 1 42 42 LYS HB2 H 1 1.93 0.006 . 2 . . . A 42 LYS HB2 . 25995 1 455 . 1 1 42 42 LYS HB3 H 1 2.112 0.003 . 2 . . . A 42 LYS HB3 . 25995 1 456 . 1 1 42 42 LYS HG2 H 1 1.533 0.004 . 2 . . . A 42 LYS HG2 . 25995 1 457 . 1 1 42 42 LYS HG3 H 1 1.533 0.004 . 2 . . . A 42 LYS HG3 . 25995 1 458 . 1 1 42 42 LYS HD2 H 1 1.729 0.002 . 2 . . . A 42 LYS HD2 . 25995 1 459 . 1 1 42 42 LYS HD3 H 1 1.729 0.002 . 2 . . . A 42 LYS HD3 . 25995 1 460 . 1 1 42 42 LYS HE2 H 1 3.02 0.004 . 2 . . . A 42 LYS HE2 . 25995 1 461 . 1 1 42 42 LYS HE3 H 1 3.02 0.004 . 2 . . . A 42 LYS HE3 . 25995 1 462 . 1 1 42 42 LYS C C 13 171.376 0.029 . 1 . . . A 42 LYS C . 25995 1 463 . 1 1 42 42 LYS CA C 13 57.498 0.132 . 1 . . . A 42 LYS CA . 25995 1 464 . 1 1 42 42 LYS CB C 13 32.164 0.053 . 1 . . . A 42 LYS CB . 25995 1 465 . 1 1 42 42 LYS CG C 13 24.56 0.034 . 1 . . . A 42 LYS CG . 25995 1 466 . 1 1 42 42 LYS CD C 13 28.391 0 . 1 . . . A 42 LYS CD . 25995 1 467 . 1 1 42 42 LYS CE C 13 41.635 0.011 . 1 . . . A 42 LYS CE . 25995 1 468 . 1 1 42 42 LYS N N 15 124.558 0.024 . 1 . . . A 42 LYS N . 25995 1 469 . 1 1 43 43 ARG H H 1 8.38 0.004 . 1 . . . A 43 ARG H . 25995 1 470 . 1 1 43 43 ARG C C 13 170.2 0.025 . 1 . . . A 43 ARG C . 25995 1 471 . 1 1 43 43 ARG CA C 13 57.753 0.028 . 1 . . . A 43 ARG CA . 25995 1 472 . 1 1 43 43 ARG CB C 13 29.961 0 . 1 . . . A 43 ARG CB . 25995 1 473 . 1 1 43 43 ARG N N 15 119.615 0.055 . 1 . . . A 43 ARG N . 25995 1 474 . 1 1 44 44 LYS H H 1 8.706 0.005 . 1 . . . A 44 LYS H . 25995 1 475 . 1 1 44 44 LYS HA H 1 4.409 0 . 1 . . . A 44 LYS HA . 25995 1 476 . 1 1 44 44 LYS HB2 H 1 1.544 0 . 2 . . . A 44 LYS HB2 . 25995 1 477 . 1 1 44 44 LYS HB3 H 1 1.715 0 . 2 . . . A 44 LYS HB3 . 25995 1 478 . 1 1 44 44 LYS HD2 H 1 1.645 0 . 2 . . . A 44 LYS HD2 . 25995 1 479 . 1 1 44 44 LYS HD3 H 1 1.645 0 . 2 . . . A 44 LYS HD3 . 25995 1 480 . 1 1 44 44 LYS HE2 H 1 3.033 0.002 . 2 . . . A 44 LYS HE2 . 25995 1 481 . 1 1 44 44 LYS HE3 H 1 3.033 0.002 . 2 . . . A 44 LYS HE3 . 25995 1 482 . 1 1 44 44 LYS C C 13 171.983 0.013 . 1 . . . A 44 LYS C . 25995 1 483 . 1 1 44 44 LYS CA C 13 56.209 0.018 . 1 . . . A 44 LYS CA . 25995 1 484 . 1 1 44 44 LYS CB C 13 32.212 0.073 . 1 . . . A 44 LYS CB . 25995 1 485 . 1 1 44 44 LYS CD C 13 28.924 0 . 1 . . . A 44 LYS CD . 25995 1 486 . 1 1 44 44 LYS CE C 13 41.758 0 . 1 . . . A 44 LYS CE . 25995 1 487 . 1 1 44 44 LYS N N 15 123.413 0.031 . 1 . . . A 44 LYS N . 25995 1 488 . 1 1 45 45 GLY H H 1 8.885 0.008 . 1 . . . A 45 GLY H . 25995 1 489 . 1 1 45 45 GLY HA2 H 1 4.136 0.008 . 2 . . . A 45 GLY HA2 . 25995 1 490 . 1 1 45 45 GLY HA3 H 1 4.874 0.022 . 2 . . . A 45 GLY HA3 . 25995 1 491 . 1 1 45 45 GLY C C 13 174.529 0.013 . 1 . . . A 45 GLY C . 25995 1 492 . 1 1 45 45 GLY CA C 13 44.854 0.029 . 1 . . . A 45 GLY CA . 25995 1 493 . 1 1 45 45 GLY N N 15 112.736 0.031 . 1 . . . A 45 GLY N . 25995 1 494 . 1 1 46 46 LEU H H 1 8.02 0.003 . 1 . . . A 46 LEU H . 25995 1 495 . 1 1 46 46 LEU HA H 1 4.657 0.005 . 1 . . . A 46 LEU HA . 25995 1 496 . 1 1 46 46 LEU HB2 H 1 0.776 0.009 . 2 . . . A 46 LEU HB2 . 25995 1 497 . 1 1 46 46 LEU HB3 H 1 1.416 0.006 . 2 . . . A 46 LEU HB3 . 25995 1 498 . 1 1 46 46 LEU HG H 1 1.123 0.004 . 1 . . . A 46 LEU HG . 25995 1 499 . 1 1 46 46 LEU HD11 H 1 0.608 0.014 . 2 . . . A 46 LEU HD11 . 25995 1 500 . 1 1 46 46 LEU HD12 H 1 0.608 0.014 . 2 . . . A 46 LEU HD12 . 25995 1 501 . 1 1 46 46 LEU HD13 H 1 0.608 0.014 . 2 . . . A 46 LEU HD13 . 25995 1 502 . 1 1 46 46 LEU HD21 H 1 0.569 0.004 . 2 . . . A 46 LEU HD21 . 25995 1 503 . 1 1 46 46 LEU HD22 H 1 0.569 0.004 . 2 . . . A 46 LEU HD22 . 25995 1 504 . 1 1 46 46 LEU HD23 H 1 0.569 0.004 . 2 . . . A 46 LEU HD23 . 25995 1 505 . 1 1 46 46 LEU C C 13 173.994 0 . 1 . . . A 46 LEU C . 25995 1 506 . 1 1 46 46 LEU CA C 13 53.739 0.062 . 1 . . . A 46 LEU CA . 25995 1 507 . 1 1 46 46 LEU CB C 13 47.228 0.208 . 1 . . . A 46 LEU CB . 25995 1 508 . 1 1 46 46 LEU CG C 13 25.957 0.022 . 1 . . . A 46 LEU CG . 25995 1 509 . 1 1 46 46 LEU CD1 C 13 23.929 0.013 . 2 . . . A 46 LEU CD1 . 25995 1 510 . 1 1 46 46 LEU CD2 C 13 25.218 0.016 . 2 . . . A 46 LEU CD2 . 25995 1 511 . 1 1 46 46 LEU N N 15 124.418 0.083 . 1 . . . A 46 LEU N . 25995 1 512 . 1 1 47 47 VAL H H 1 8.434 0.005 . 1 . . . A 47 VAL H . 25995 1 513 . 1 1 47 47 VAL HA H 1 4.394 0.007 . 1 . . . A 47 VAL HA . 25995 1 514 . 1 1 47 47 VAL HB H 1 0.022 0.006 . 1 . . . A 47 VAL HB . 25995 1 515 . 1 1 47 47 VAL HG11 H 1 0.304 0.002 . 2 . . . A 47 VAL HG11 . 25995 1 516 . 1 1 47 47 VAL HG12 H 1 0.304 0.002 . 2 . . . A 47 VAL HG12 . 25995 1 517 . 1 1 47 47 VAL HG13 H 1 0.304 0.002 . 2 . . . A 47 VAL HG13 . 25995 1 518 . 1 1 47 47 VAL HG21 H 1 -0.525 0.003 . 2 . . . A 47 VAL HG21 . 25995 1 519 . 1 1 47 47 VAL HG22 H 1 -0.525 0.003 . 2 . . . A 47 VAL HG22 . 25995 1 520 . 1 1 47 47 VAL HG23 H 1 -0.525 0.003 . 2 . . . A 47 VAL HG23 . 25995 1 521 . 1 1 47 47 VAL C C 13 174.121 0.012 . 1 . . . A 47 VAL C . 25995 1 522 . 1 1 47 47 VAL CA C 13 59.569 0.056 . 1 . . . A 47 VAL CA . 25995 1 523 . 1 1 47 47 VAL CB C 13 31.452 0.14 . 1 . . . A 47 VAL CB . 25995 1 524 . 1 1 47 47 VAL CG1 C 13 23.717 0.015 . 2 . . . A 47 VAL CG1 . 25995 1 525 . 1 1 47 47 VAL CG2 C 13 21.538 0.009 . 2 . . . A 47 VAL CG2 . 25995 1 526 . 1 1 47 47 VAL N N 15 125.787 0.031 . 1 . . . A 47 VAL N . 25995 1 527 . 1 1 48 48 TYR H H 1 7.697 0.004 . 1 . . . A 48 TYR H . 25995 1 528 . 1 1 48 48 TYR HA H 1 4.738 0.001 . 1 . . . A 48 TYR HA . 25995 1 529 . 1 1 48 48 TYR HB2 H 1 2.165 0 . 2 . . . A 48 TYR HB2 . 25995 1 530 . 1 1 48 48 TYR HB3 H 1 2.335 0 . 2 . . . A 48 TYR HB3 . 25995 1 531 . 1 1 48 48 TYR C C 13 176.625 0.002 . 1 . . . A 48 TYR C . 25995 1 532 . 1 1 48 48 TYR CA C 13 54.825 0.064 . 1 . . . A 48 TYR CA . 25995 1 533 . 1 1 48 48 TYR CB C 13 40.005 0.048 . 1 . . . A 48 TYR CB . 25995 1 534 . 1 1 48 48 TYR N N 15 118.657 0.032 . 1 . . . A 48 TYR N . 25995 1 535 . 1 1 49 49 ILE H H 1 7.622 0.005 . 1 . . . A 49 ILE H . 25995 1 536 . 1 1 49 49 ILE HA H 1 5.161 0.004 . 1 . . . A 49 ILE HA . 25995 1 537 . 1 1 49 49 ILE HB H 1 1.42 0.007 . 1 . . . A 49 ILE HB . 25995 1 538 . 1 1 49 49 ILE HG12 H 1 1.22 0.001 . 2 . . . A 49 ILE HG12 . 25995 1 539 . 1 1 49 49 ILE HG13 H 1 0.97 0.001 . 2 . . . A 49 ILE HG13 . 25995 1 540 . 1 1 49 49 ILE HG21 H 1 0.763 0.002 . 1 . . . A 49 ILE HG21 . 25995 1 541 . 1 1 49 49 ILE HG22 H 1 0.763 0.002 . 1 . . . A 49 ILE HG22 . 25995 1 542 . 1 1 49 49 ILE HG23 H 1 0.763 0.002 . 1 . . . A 49 ILE HG23 . 25995 1 543 . 1 1 49 49 ILE HD11 H 1 0.796 0.003 . 1 . . . A 49 ILE HD11 . 25995 1 544 . 1 1 49 49 ILE HD12 H 1 0.796 0.003 . 1 . . . A 49 ILE HD12 . 25995 1 545 . 1 1 49 49 ILE HD13 H 1 0.796 0.003 . 1 . . . A 49 ILE HD13 . 25995 1 546 . 1 1 49 49 ILE C C 13 173.856 0.011 . 1 . . . A 49 ILE C . 25995 1 547 . 1 1 49 49 ILE CA C 13 57.704 0.061 . 1 . . . A 49 ILE CA . 25995 1 548 . 1 1 49 49 ILE CB C 13 39.236 0.139 . 1 . . . A 49 ILE CB . 25995 1 549 . 1 1 49 49 ILE CG2 C 13 17.741 0.01 . 1 . . . A 49 ILE CG2 . 25995 1 550 . 1 1 49 49 ILE CD1 C 13 14.306 0.019 . 1 . . . A 49 ILE CD1 . 25995 1 551 . 1 1 49 49 ILE N N 15 116.493 0.036 . 1 . . . A 49 ILE N . 25995 1 552 . 1 1 50 50 GLN H H 1 9.031 0.004 . 1 . . . A 50 GLN H . 25995 1 553 . 1 1 50 50 GLN HA H 1 5.034 0.007 . 1 . . . A 50 GLN HA . 25995 1 554 . 1 1 50 50 GLN HB2 H 1 1.916 0.004 . 2 . . . A 50 GLN HB2 . 25995 1 555 . 1 1 50 50 GLN HB3 H 1 2.321 0.005 . 2 . . . A 50 GLN HB3 . 25995 1 556 . 1 1 50 50 GLN HG2 H 1 1.971 0.002 . 2 . . . A 50 GLN HG2 . 25995 1 557 . 1 1 50 50 GLN HG3 H 1 1.971 0.002 . 2 . . . A 50 GLN HG3 . 25995 1 558 . 1 1 50 50 GLN HE21 H 1 6.744 0 . 2 . . . A 50 GLN HE21 . 25995 1 559 . 1 1 50 50 GLN HE22 H 1 7.219 0 . 2 . . . A 50 GLN HE22 . 25995 1 560 . 1 1 50 50 GLN C C 13 175.58 0.005 . 1 . . . A 50 GLN C . 25995 1 561 . 1 1 50 50 GLN CA C 13 52.95 0.075 . 1 . . . A 50 GLN CA . 25995 1 562 . 1 1 50 50 GLN CB C 13 32.902 0.091 . 1 . . . A 50 GLN CB . 25995 1 563 . 1 1 50 50 GLN CG C 13 33.039 0 . 1 . . . A 50 GLN CG . 25995 1 564 . 1 1 50 50 GLN N N 15 127.459 0.028 . 1 . . . A 50 GLN N . 25995 1 565 . 1 1 50 50 GLN NE2 N 15 110.347 0.001 . 1 . . . A 50 GLN NE2 . 25995 1 566 . 1 1 51 51 GLN H H 1 9.141 0.006 . 1 . . . A 51 GLN H . 25995 1 567 . 1 1 51 51 GLN HA H 1 5.73 0.007 . 1 . . . A 51 GLN HA . 25995 1 568 . 1 1 51 51 GLN HB2 H 1 1.522 0.013 . 2 . . . A 51 GLN HB2 . 25995 1 569 . 1 1 51 51 GLN HB3 H 1 2.143 0.059 . 2 . . . A 51 GLN HB3 . 25995 1 570 . 1 1 51 51 GLN HG2 H 1 2.353 0 . 2 . . . A 51 GLN HG2 . 25995 1 571 . 1 1 51 51 GLN HG3 H 1 2.136 0.052 . 2 . . . A 51 GLN HG3 . 25995 1 572 . 1 1 51 51 GLN HE21 H 1 7.054 0 . 2 . . . A 51 GLN HE21 . 25995 1 573 . 1 1 51 51 GLN HE22 H 1 7.4 0 . 2 . . . A 51 GLN HE22 . 25995 1 574 . 1 1 51 51 GLN C C 13 171.894 0.012 . 1 . . . A 51 GLN C . 25995 1 575 . 1 1 51 51 GLN CA C 13 53.346 0.079 . 1 . . . A 51 GLN CA . 25995 1 576 . 1 1 51 51 GLN CB C 13 30.27 0.188 . 1 . . . A 51 GLN CB . 25995 1 577 . 1 1 51 51 GLN CG C 13 33.199 0.048 . 1 . . . A 51 GLN CG . 25995 1 578 . 1 1 51 51 GLN N N 15 127.876 0.022 . 1 . . . A 51 GLN N . 25995 1 579 . 1 1 51 51 GLN NE2 N 15 110.141 0.005 . 1 . . . A 51 GLN NE2 . 25995 1 580 . 1 1 52 52 THR H H 1 9.081 0.006 . 1 . . . A 52 THR H . 25995 1 581 . 1 1 52 52 THR HA H 1 4.425 0.007 . 1 . . . A 52 THR HA . 25995 1 582 . 1 1 52 52 THR HB H 1 4.596 0.001 . 1 . . . A 52 THR HB . 25995 1 583 . 1 1 52 52 THR HG21 H 1 0.81 0.005 . 1 . . . A 52 THR HG21 . 25995 1 584 . 1 1 52 52 THR HG22 H 1 0.81 0.005 . 1 . . . A 52 THR HG22 . 25995 1 585 . 1 1 52 52 THR HG23 H 1 0.81 0.005 . 1 . . . A 52 THR HG23 . 25995 1 586 . 1 1 52 52 THR C C 13 171.583 0.038 . 1 . . . A 52 THR C . 25995 1 587 . 1 1 52 52 THR CA C 13 61.312 0.086 . 1 . . . A 52 THR CA . 25995 1 588 . 1 1 52 52 THR CB C 13 69.164 0.095 . 1 . . . A 52 THR CB . 25995 1 589 . 1 1 52 52 THR CG2 C 13 22.968 0.066 . 1 . . . A 52 THR CG2 . 25995 1 590 . 1 1 52 52 THR N N 15 118.431 0.054 . 1 . . . A 52 THR N . 25995 1 591 . 1 1 53 53 ASP H H 1 8.798 0.004 . 1 . . . A 53 ASP H . 25995 1 592 . 1 1 53 53 ASP HA H 1 4.332 0.001 . 1 . . . A 53 ASP HA . 25995 1 593 . 1 1 53 53 ASP HB2 H 1 2.72 0.004 . 2 . . . A 53 ASP HB2 . 25995 1 594 . 1 1 53 53 ASP HB3 H 1 2.72 0.004 . 2 . . . A 53 ASP HB3 . 25995 1 595 . 1 1 53 53 ASP C C 13 172.957 0.012 . 1 . . . A 53 ASP C . 25995 1 596 . 1 1 53 53 ASP CA C 13 57 0.086 . 1 . . . A 53 ASP CA . 25995 1 597 . 1 1 53 53 ASP CB C 13 39.711 0.091 . 1 . . . A 53 ASP CB . 25995 1 598 . 1 1 53 53 ASP N N 15 120.56 0.039 . 1 . . . A 53 ASP N . 25995 1 599 . 1 1 54 54 ASP H H 1 7.894 0.005 . 1 . . . A 54 ASP H . 25995 1 600 . 1 1 54 54 ASP HA H 1 4.475 0.002 . 1 . . . A 54 ASP HA . 25995 1 601 . 1 1 54 54 ASP HB2 H 1 2.656 0.002 . 2 . . . A 54 ASP HB2 . 25995 1 602 . 1 1 54 54 ASP HB3 H 1 3.101 0 . 2 . . . A 54 ASP HB3 . 25995 1 603 . 1 1 54 54 ASP C C 13 172.296 0.009 . 1 . . . A 54 ASP C . 25995 1 604 . 1 1 54 54 ASP CA C 13 53.188 0.114 . 1 . . . A 54 ASP CA . 25995 1 605 . 1 1 54 54 ASP CB C 13 39.644 0.033 . 1 . . . A 54 ASP CB . 25995 1 606 . 1 1 54 54 ASP N N 15 118.463 0.045 . 1 . . . A 54 ASP N . 25995 1 607 . 1 1 55 55 SER H H 1 8.46 0.003 . 1 . . . A 55 SER H . 25995 1 608 . 1 1 55 55 SER HA H 1 4.016 0.007 . 1 . . . A 55 SER HA . 25995 1 609 . 1 1 55 55 SER HB2 H 1 4.322 0.004 . 2 . . . A 55 SER HB2 . 25995 1 610 . 1 1 55 55 SER HB3 H 1 4.322 0.004 . 2 . . . A 55 SER HB3 . 25995 1 611 . 1 1 55 55 SER C C 13 175.007 0 . 1 . . . A 55 SER C . 25995 1 612 . 1 1 55 55 SER CA C 13 61.295 0.062 . 1 . . . A 55 SER CA . 25995 1 613 . 1 1 55 55 SER CB C 13 62.624 0.024 . 1 . . . A 55 SER CB . 25995 1 614 . 1 1 55 55 SER N N 15 112.231 0.081 . 1 . . . A 55 SER N . 25995 1 615 . 1 1 56 56 LEU H H 1 7.954 0.002 . 1 . . . A 56 LEU H . 25995 1 616 . 1 1 56 56 LEU HA H 1 4.148 0.01 . 1 . . . A 56 LEU HA . 25995 1 617 . 1 1 56 56 LEU HB2 H 1 0.957 0.002 . 2 . . . A 56 LEU HB2 . 25995 1 618 . 1 1 56 56 LEU HB3 H 1 1.8 0.003 . 2 . . . A 56 LEU HB3 . 25995 1 619 . 1 1 56 56 LEU HG H 1 1.409 0.002 . 1 . . . A 56 LEU HG . 25995 1 620 . 1 1 56 56 LEU HD11 H 1 0.879 0.003 . 2 . . . A 56 LEU HD11 . 25995 1 621 . 1 1 56 56 LEU HD12 H 1 0.879 0.003 . 2 . . . A 56 LEU HD12 . 25995 1 622 . 1 1 56 56 LEU HD13 H 1 0.879 0.003 . 2 . . . A 56 LEU HD13 . 25995 1 623 . 1 1 56 56 LEU HD21 H 1 0.828 0.003 . 2 . . . A 56 LEU HD21 . 25995 1 624 . 1 1 56 56 LEU HD22 H 1 0.828 0.003 . 2 . . . A 56 LEU HD22 . 25995 1 625 . 1 1 56 56 LEU HD23 H 1 0.828 0.003 . 2 . . . A 56 LEU HD23 . 25995 1 626 . 1 1 56 56 LEU C C 13 173.803 0.046 . 1 . . . A 56 LEU C . 25995 1 627 . 1 1 56 56 LEU CA C 13 54.942 0.083 . 1 . . . A 56 LEU CA . 25995 1 628 . 1 1 56 56 LEU CB C 13 40.565 0.148 . 1 . . . A 56 LEU CB . 25995 1 629 . 1 1 56 56 LEU CG C 13 26.668 0 . 1 . . . A 56 LEU CG . 25995 1 630 . 1 1 56 56 LEU CD1 C 13 25.113 0 . 2 . . . A 56 LEU CD1 . 25995 1 631 . 1 1 56 56 LEU CD2 C 13 22.187 0.009 . 2 . . . A 56 LEU CD2 . 25995 1 632 . 1 1 56 56 LEU N N 15 123.546 0.053 . 1 . . . A 56 LEU N . 25995 1 633 . 1 1 57 57 ILE H H 1 8.364 0.006 . 1 . . . A 57 ILE H . 25995 1 634 . 1 1 57 57 ILE HA H 1 4.55 0.007 . 1 . . . A 57 ILE HA . 25995 1 635 . 1 1 57 57 ILE HB H 1 2.189 0.006 . 1 . . . A 57 ILE HB . 25995 1 636 . 1 1 57 57 ILE HG12 H 1 1.692 0 . 2 . . . A 57 ILE HG12 . 25995 1 637 . 1 1 57 57 ILE HG13 H 1 1.55 0.004 . 2 . . . A 57 ILE HG13 . 25995 1 638 . 1 1 57 57 ILE HG21 H 1 0.69 0.004 . 1 . . . A 57 ILE HG21 . 25995 1 639 . 1 1 57 57 ILE HG22 H 1 0.69 0.004 . 1 . . . A 57 ILE HG22 . 25995 1 640 . 1 1 57 57 ILE HG23 H 1 0.69 0.004 . 1 . . . A 57 ILE HG23 . 25995 1 641 . 1 1 57 57 ILE HD11 H 1 0.671 0.009 . 1 . . . A 57 ILE HD11 . 25995 1 642 . 1 1 57 57 ILE HD12 H 1 0.671 0.009 . 1 . . . A 57 ILE HD12 . 25995 1 643 . 1 1 57 57 ILE HD13 H 1 0.671 0.009 . 1 . . . A 57 ILE HD13 . 25995 1 644 . 1 1 57 57 ILE C C 13 174.271 0 . 1 . . . A 57 ILE C . 25995 1 645 . 1 1 57 57 ILE CA C 13 57.623 0.133 . 1 . . . A 57 ILE CA . 25995 1 646 . 1 1 57 57 ILE CB C 13 35.836 0.07 . 1 . . . A 57 ILE CB . 25995 1 647 . 1 1 57 57 ILE CG1 C 13 25.467 0.002 . 1 . . . A 57 ILE CG1 . 25995 1 648 . 1 1 57 57 ILE CG2 C 13 17.191 0.016 . 1 . . . A 57 ILE CG2 . 25995 1 649 . 1 1 57 57 ILE CD1 C 13 9.47 0.039 . 1 . . . A 57 ILE CD1 . 25995 1 650 . 1 1 57 57 ILE N N 15 121.597 0.029 . 1 . . . A 57 ILE N . 25995 1 651 . 1 1 58 58 HIS H H 1 8.989 0.002 . 1 . . . A 58 HIS H . 25995 1 652 . 1 1 58 58 HIS HA H 1 5.297 0.002 . 1 . . . A 58 HIS HA . 25995 1 653 . 1 1 58 58 HIS HB2 H 1 2.879 0.006 . 2 . . . A 58 HIS HB2 . 25995 1 654 . 1 1 58 58 HIS HB3 H 1 2.879 0.006 . 2 . . . A 58 HIS HB3 . 25995 1 655 . 1 1 58 58 HIS C C 13 174.993 0.002 . 1 . . . A 58 HIS C . 25995 1 656 . 1 1 58 58 HIS CA C 13 52.605 0.074 . 1 . . . A 58 HIS CA . 25995 1 657 . 1 1 58 58 HIS CB C 13 29.845 0.105 . 1 . . . A 58 HIS CB . 25995 1 658 . 1 1 58 58 HIS N N 15 123.186 0.02 . 1 . . . A 58 HIS N . 25995 1 659 . 1 1 59 59 PHE H H 1 9.634 0.003 . 1 . . . A 59 PHE H . 25995 1 660 . 1 1 59 59 PHE HA H 1 4.532 0.005 . 1 . . . A 59 PHE HA . 25995 1 661 . 1 1 59 59 PHE HB2 H 1 2.401 0.005 . 2 . . . A 59 PHE HB2 . 25995 1 662 . 1 1 59 59 PHE HB3 H 1 3.181 0.001 . 2 . . . A 59 PHE HB3 . 25995 1 663 . 1 1 59 59 PHE C C 13 174.248 0 . 1 . . . A 59 PHE C . 25995 1 664 . 1 1 59 59 PHE CA C 13 56.997 0.04 . 1 . . . A 59 PHE CA . 25995 1 665 . 1 1 59 59 PHE CB C 13 41.491 0.045 . 1 . . . A 59 PHE CB . 25995 1 666 . 1 1 59 59 PHE N N 15 126.85 0.032 . 1 . . . A 59 PHE N . 25995 1 667 . 1 1 60 60 CYS H H 1 8.152 0.003 . 1 . . . A 60 CYS H . 25995 1 668 . 1 1 60 60 CYS HA H 1 5.225 0.003 . 1 . . . A 60 CYS HA . 25995 1 669 . 1 1 60 60 CYS HB2 H 1 0.415 0.002 . 2 . . . A 60 CYS HB2 . 25995 1 670 . 1 1 60 60 CYS HB3 H 1 2.083 0.002 . 2 . . . A 60 CYS HB3 . 25995 1 671 . 1 1 60 60 CYS C C 13 176.438 0.001 . 1 . . . A 60 CYS C . 25995 1 672 . 1 1 60 60 CYS CA C 13 55.13 0.093 . 1 . . . A 60 CYS CA . 25995 1 673 . 1 1 60 60 CYS CB C 13 31.447 0.193 . 1 . . . A 60 CYS CB . 25995 1 674 . 1 1 60 60 CYS N N 15 125.232 0.03 . 1 . . . A 60 CYS N . 25995 1 675 . 1 1 61 61 TRP H H 1 8.255 0.006 . 1 . . . A 61 TRP H . 25995 1 676 . 1 1 61 61 TRP HA H 1 5.18 0 . 1 . . . A 61 TRP HA . 25995 1 677 . 1 1 61 61 TRP HB2 H 1 2.756 0 . 2 . . . A 61 TRP HB2 . 25995 1 678 . 1 1 61 61 TRP HB3 H 1 3.875 0 . 2 . . . A 61 TRP HB3 . 25995 1 679 . 1 1 61 61 TRP HE1 H 1 10.121 0 . 1 . . . A 61 TRP HE1 . 25995 1 680 . 1 1 61 61 TRP C C 13 173.765 0 . 1 . . . A 61 TRP C . 25995 1 681 . 1 1 61 61 TRP CA C 13 57.261 0.08 . 1 . . . A 61 TRP CA . 25995 1 682 . 1 1 61 61 TRP CB C 13 31.945 0.144 . 1 . . . A 61 TRP CB . 25995 1 683 . 1 1 61 61 TRP N N 15 118.31 0.037 . 1 . . . A 61 TRP N . 25995 1 684 . 1 1 61 61 TRP NE1 N 15 126.949 0 . 1 . . . A 61 TRP NE1 . 25995 1 685 . 1 1 62 62 LYS H H 1 8.323 0.003 . 1 . . . A 62 LYS H . 25995 1 686 . 1 1 62 62 LYS HA H 1 4.828 0.004 . 1 . . . A 62 LYS HA . 25995 1 687 . 1 1 62 62 LYS HB2 H 1 1.408 0.007 . 2 . . . A 62 LYS HB2 . 25995 1 688 . 1 1 62 62 LYS HB3 H 1 1.408 0.007 . 2 . . . A 62 LYS HB3 . 25995 1 689 . 1 1 62 62 LYS HG2 H 1 0.86 0.003 . 2 . . . A 62 LYS HG2 . 25995 1 690 . 1 1 62 62 LYS HG3 H 1 0.767 0.004 . 2 . . . A 62 LYS HG3 . 25995 1 691 . 1 1 62 62 LYS HD2 H 1 1.385 0.004 . 2 . . . A 62 LYS HD2 . 25995 1 692 . 1 1 62 62 LYS HD3 H 1 1.385 0.004 . 2 . . . A 62 LYS HD3 . 25995 1 693 . 1 1 62 62 LYS HE2 H 1 2.591 0.001 . 2 . . . A 62 LYS HE2 . 25995 1 694 . 1 1 62 62 LYS HE3 H 1 2.639 0.002 . 2 . . . A 62 LYS HE3 . 25995 1 695 . 1 1 62 62 LYS C C 13 176.776 0.024 . 1 . . . A 62 LYS C . 25995 1 696 . 1 1 62 62 LYS CA C 13 52.207 0.079 . 1 . . . A 62 LYS CA . 25995 1 697 . 1 1 62 62 LYS CB C 13 37.309 0.169 . 1 . . . A 62 LYS CB . 25995 1 698 . 1 1 62 62 LYS CG C 13 23.573 0.088 . 1 . . . A 62 LYS CG . 25995 1 699 . 1 1 62 62 LYS CD C 13 29.272 0.009 . 1 . . . A 62 LYS CD . 25995 1 700 . 1 1 62 62 LYS CE C 13 41.391 0.031 . 1 . . . A 62 LYS CE . 25995 1 701 . 1 1 62 62 LYS N N 15 126.824 0.03 . 1 . . . A 62 LYS N . 25995 1 702 . 1 1 63 63 ASP H H 1 7.715 0.007 . 1 . . . A 63 ASP H . 25995 1 703 . 1 1 63 63 ASP HA H 1 4.017 0.002 . 1 . . . A 63 ASP HA . 25995 1 704 . 1 1 63 63 ASP HB2 H 1 2.579 0.002 . 2 . . . A 63 ASP HB2 . 25995 1 705 . 1 1 63 63 ASP HB3 H 1 3.01 0.014 . 2 . . . A 63 ASP HB3 . 25995 1 706 . 1 1 63 63 ASP C C 13 171.146 0 . 1 . . . A 63 ASP C . 25995 1 707 . 1 1 63 63 ASP CA C 13 52.725 0.051 . 1 . . . A 63 ASP CA . 25995 1 708 . 1 1 63 63 ASP CB C 13 41.702 0.057 . 1 . . . A 63 ASP CB . 25995 1 709 . 1 1 63 63 ASP N N 15 123.17 0.031 . 1 . . . A 63 ASP N . 25995 1 710 . 1 1 64 64 ARG H H 1 8.678 0.004 . 1 . . . A 64 ARG H . 25995 1 711 . 1 1 64 64 ARG HA H 1 3.769 0.006 . 1 . . . A 64 ARG HA . 25995 1 712 . 1 1 64 64 ARG HB2 H 1 1.357 0.008 . 2 . . . A 64 ARG HB2 . 25995 1 713 . 1 1 64 64 ARG HB3 H 1 1.745 0.007 . 2 . . . A 64 ARG HB3 . 25995 1 714 . 1 1 64 64 ARG HG2 H 1 1.168 0.003 . 2 . . . A 64 ARG HG2 . 25995 1 715 . 1 1 64 64 ARG HG3 H 1 1.389 0.006 . 2 . . . A 64 ARG HG3 . 25995 1 716 . 1 1 64 64 ARG HD2 H 1 3.123 0.005 . 2 . . . A 64 ARG HD2 . 25995 1 717 . 1 1 64 64 ARG HD3 H 1 2.974 0 . 2 . . . A 64 ARG HD3 . 25995 1 718 . 1 1 64 64 ARG C C 13 171.075 0.013 . 1 . . . A 64 ARG C . 25995 1 719 . 1 1 64 64 ARG CA C 13 58.472 0.103 . 1 . . . A 64 ARG CA . 25995 1 720 . 1 1 64 64 ARG CB C 13 30.39 0.136 . 1 . . . A 64 ARG CB . 25995 1 721 . 1 1 64 64 ARG CG C 13 28.624 0.067 . 1 . . . A 64 ARG CG . 25995 1 722 . 1 1 64 64 ARG CD C 13 43.504 0.02 . 1 . . . A 64 ARG CD . 25995 1 723 . 1 1 64 64 ARG N N 15 125.405 0.016 . 1 . . . A 64 ARG N . 25995 1 724 . 1 1 65 65 THR H H 1 8.879 0.004 . 1 . . . A 65 THR H . 25995 1 725 . 1 1 65 65 THR HA H 1 4.08 0.002 . 1 . . . A 65 THR HA . 25995 1 726 . 1 1 65 65 THR HB H 1 4.352 0.005 . 1 . . . A 65 THR HB . 25995 1 727 . 1 1 65 65 THR HG21 H 1 1.259 0.002 . 1 . . . A 65 THR HG21 . 25995 1 728 . 1 1 65 65 THR HG22 H 1 1.259 0.002 . 1 . . . A 65 THR HG22 . 25995 1 729 . 1 1 65 65 THR HG23 H 1 1.259 0.002 . 1 . . . A 65 THR HG23 . 25995 1 730 . 1 1 65 65 THR C C 13 173.303 0.015 . 1 . . . A 65 THR C . 25995 1 731 . 1 1 65 65 THR CA C 13 65.026 0.042 . 1 . . . A 65 THR CA . 25995 1 732 . 1 1 65 65 THR CB C 13 67.696 0.112 . 1 . . . A 65 THR CB . 25995 1 733 . 1 1 65 65 THR CG2 C 13 21.308 0.038 . 1 . . . A 65 THR CG2 . 25995 1 734 . 1 1 65 65 THR N N 15 116.122 0.064 . 1 . . . A 65 THR N . 25995 1 735 . 1 1 66 66 SER H H 1 7.918 0.01 . 1 . . . A 66 SER H . 25995 1 736 . 1 1 66 66 SER HA H 1 4.405 0 . 1 . . . A 66 SER HA . 25995 1 737 . 1 1 66 66 SER HB2 H 1 3.977 0 . 2 . . . A 66 SER HB2 . 25995 1 738 . 1 1 66 66 SER HB3 H 1 3.977 0 . 2 . . . A 66 SER HB3 . 25995 1 739 . 1 1 66 66 SER C C 13 172.865 0.006 . 1 . . . A 66 SER C . 25995 1 740 . 1 1 66 66 SER CA C 13 58.326 0.056 . 1 . . . A 66 SER CA . 25995 1 741 . 1 1 66 66 SER CB C 13 64.581 0.062 . 1 . . . A 66 SER CB . 25995 1 742 . 1 1 66 66 SER N N 15 115.033 0.061 . 1 . . . A 66 SER N . 25995 1 743 . 1 1 67 67 GLY H H 1 8.093 0.004 . 1 . . . A 67 GLY H . 25995 1 744 . 1 1 67 67 GLY HA2 H 1 3.532 0.003 . 2 . . . A 67 GLY HA2 . 25995 1 745 . 1 1 67 67 GLY HA3 H 1 4.16 0.005 . 2 . . . A 67 GLY HA3 . 25995 1 746 . 1 1 67 67 GLY C C 13 175.122 0 . 1 . . . A 67 GLY C . 25995 1 747 . 1 1 67 67 GLY CA C 13 45.27 0.048 . 1 . . . A 67 GLY CA . 25995 1 748 . 1 1 67 67 GLY N N 15 111.759 0.038 . 1 . . . A 67 GLY N . 25995 1 749 . 1 1 68 68 ASN H H 1 7.94 0.003 . 1 . . . A 68 ASN H . 25995 1 750 . 1 1 68 68 ASN HA H 1 4.561 0.006 . 1 . . . A 68 ASN HA . 25995 1 751 . 1 1 68 68 ASN HB2 H 1 2.719 0.002 . 2 . . . A 68 ASN HB2 . 25995 1 752 . 1 1 68 68 ASN HB3 H 1 2.719 0.002 . 2 . . . A 68 ASN HB3 . 25995 1 753 . 1 1 68 68 ASN HD21 H 1 7.019 0.004 . 2 . . . A 68 ASN HD21 . 25995 1 754 . 1 1 68 68 ASN HD22 H 1 7.635 0.001 . 2 . . . A 68 ASN HD22 . 25995 1 755 . 1 1 68 68 ASN C C 13 173.837 0.006 . 1 . . . A 68 ASN C . 25995 1 756 . 1 1 68 68 ASN CA C 13 53.492 0.078 . 1 . . . A 68 ASN CA . 25995 1 757 . 1 1 68 68 ASN CB C 13 38.615 0.078 . 1 . . . A 68 ASN CB . 25995 1 758 . 1 1 68 68 ASN N N 15 118.288 0.043 . 1 . . . A 68 ASN N . 25995 1 759 . 1 1 68 68 ASN ND2 N 15 112.183 0.114 . 1 . . . A 68 ASN ND2 . 25995 1 760 . 1 1 69 69 VAL H H 1 8.772 0.003 . 1 . . . A 69 VAL H . 25995 1 761 . 1 1 69 69 VAL HA H 1 4.057 0.003 . 1 . . . A 69 VAL HA . 25995 1 762 . 1 1 69 69 VAL HB H 1 2.103 0.003 . 1 . . . A 69 VAL HB . 25995 1 763 . 1 1 69 69 VAL HG11 H 1 1.027 0.002 . 2 . . . A 69 VAL HG11 . 25995 1 764 . 1 1 69 69 VAL HG12 H 1 1.027 0.002 . 2 . . . A 69 VAL HG12 . 25995 1 765 . 1 1 69 69 VAL HG13 H 1 1.027 0.002 . 2 . . . A 69 VAL HG13 . 25995 1 766 . 1 1 69 69 VAL HG21 H 1 0.899 0.006 . 2 . . . A 69 VAL HG21 . 25995 1 767 . 1 1 69 69 VAL HG22 H 1 0.899 0.006 . 2 . . . A 69 VAL HG22 . 25995 1 768 . 1 1 69 69 VAL HG23 H 1 0.899 0.006 . 2 . . . A 69 VAL HG23 . 25995 1 769 . 1 1 69 69 VAL C C 13 172.992 0.013 . 1 . . . A 69 VAL C . 25995 1 770 . 1 1 69 69 VAL CA C 13 62.72 0.033 . 1 . . . A 69 VAL CA . 25995 1 771 . 1 1 69 69 VAL CB C 13 30.677 0.043 . 1 . . . A 69 VAL CB . 25995 1 772 . 1 1 69 69 VAL CG1 C 13 21.41 0.021 . 2 . . . A 69 VAL CG1 . 25995 1 773 . 1 1 69 69 VAL CG2 C 13 20.997 0.027 . 2 . . . A 69 VAL CG2 . 25995 1 774 . 1 1 69 69 VAL N N 15 126.904 0.046 . 1 . . . A 69 VAL N . 25995 1 775 . 1 1 70 70 GLU H H 1 8.246 0.004 . 1 . . . A 70 GLU H . 25995 1 776 . 1 1 70 70 GLU HA H 1 4.468 0.003 . 1 . . . A 70 GLU HA . 25995 1 777 . 1 1 70 70 GLU HB2 H 1 2.328 0.006 . 2 . . . A 70 GLU HB2 . 25995 1 778 . 1 1 70 70 GLU HB3 H 1 2.444 0.001 . 2 . . . A 70 GLU HB3 . 25995 1 779 . 1 1 70 70 GLU HG2 H 1 2.508 0.005 . 2 . . . A 70 GLU HG2 . 25995 1 780 . 1 1 70 70 GLU HG3 H 1 2.35 0.002 . 2 . . . A 70 GLU HG3 . 25995 1 781 . 1 1 70 70 GLU C C 13 173.396 0 . 1 . . . A 70 GLU C . 25995 1 782 . 1 1 70 70 GLU CA C 13 57.723 0.097 . 1 . . . A 70 GLU CA . 25995 1 783 . 1 1 70 70 GLU CB C 13 32.107 0.134 . 1 . . . A 70 GLU CB . 25995 1 784 . 1 1 70 70 GLU CG C 13 37.402 0.032 . 1 . . . A 70 GLU CG . 25995 1 785 . 1 1 70 70 GLU N N 15 129.218 0.021 . 1 . . . A 70 GLU N . 25995 1 786 . 1 1 71 71 ASP H H 1 7.979 0.004 . 1 . . . A 71 ASP H . 25995 1 787 . 1 1 71 71 ASP HA H 1 5.118 0.003 . 1 . . . A 71 ASP HA . 25995 1 788 . 1 1 71 71 ASP HB2 H 1 2.472 0.002 . 2 . . . A 71 ASP HB2 . 25995 1 789 . 1 1 71 71 ASP HB3 H 1 2.712 0.005 . 2 . . . A 71 ASP HB3 . 25995 1 790 . 1 1 71 71 ASP C C 13 175.017 0.015 . 1 . . . A 71 ASP C . 25995 1 791 . 1 1 71 71 ASP CA C 13 53.187 0.062 . 1 . . . A 71 ASP CA . 25995 1 792 . 1 1 71 71 ASP CB C 13 43.544 0.024 . 1 . . . A 71 ASP CB . 25995 1 793 . 1 1 71 71 ASP N N 15 117.071 0.047 . 1 . . . A 71 ASP N . 25995 1 794 . 1 1 72 72 ASP H H 1 8.429 0.005 . 1 . . . A 72 ASP H . 25995 1 795 . 1 1 72 72 ASP HA H 1 5.013 0.002 . 1 . . . A 72 ASP HA . 25995 1 796 . 1 1 72 72 ASP HB2 H 1 2.437 0.001 . 2 . . . A 72 ASP HB2 . 25995 1 797 . 1 1 72 72 ASP HB3 H 1 2.751 0.008 . 2 . . . A 72 ASP HB3 . 25995 1 798 . 1 1 72 72 ASP C C 13 173.86 0 . 1 . . . A 72 ASP C . 25995 1 799 . 1 1 72 72 ASP CA C 13 53.834 0.086 . 1 . . . A 72 ASP CA . 25995 1 800 . 1 1 72 72 ASP CB C 13 40.698 0.051 . 1 . . . A 72 ASP CB . 25995 1 801 . 1 1 72 72 ASP N N 15 121.345 0.055 . 1 . . . A 72 ASP N . 25995 1 802 . 1 1 73 73 LEU H H 1 9.193 0.004 . 1 . . . A 73 LEU H . 25995 1 803 . 1 1 73 73 LEU HA H 1 4.751 0.005 . 1 . . . A 73 LEU HA . 25995 1 804 . 1 1 73 73 LEU HB2 H 1 1.534 0.004 . 2 . . . A 73 LEU HB2 . 25995 1 805 . 1 1 73 73 LEU HB3 H 1 1.995 0.002 . 2 . . . A 73 LEU HB3 . 25995 1 806 . 1 1 73 73 LEU HG H 1 1.832 0.002 . 1 . . . A 73 LEU HG . 25995 1 807 . 1 1 73 73 LEU HD11 H 1 1.004 0.001 . 2 . . . A 73 LEU HD11 . 25995 1 808 . 1 1 73 73 LEU HD12 H 1 1.004 0.001 . 2 . . . A 73 LEU HD12 . 25995 1 809 . 1 1 73 73 LEU HD13 H 1 1.004 0.001 . 2 . . . A 73 LEU HD13 . 25995 1 810 . 1 1 73 73 LEU HD21 H 1 0.979 0.003 . 2 . . . A 73 LEU HD21 . 25995 1 811 . 1 1 73 73 LEU HD22 H 1 0.979 0.003 . 2 . . . A 73 LEU HD22 . 25995 1 812 . 1 1 73 73 LEU HD23 H 1 0.979 0.003 . 2 . . . A 73 LEU HD23 . 25995 1 813 . 1 1 73 73 LEU C C 13 172.987 0.008 . 1 . . . A 73 LEU C . 25995 1 814 . 1 1 73 73 LEU CA C 13 53.276 0.045 . 1 . . . A 73 LEU CA . 25995 1 815 . 1 1 73 73 LEU CB C 13 43.916 0.158 . 1 . . . A 73 LEU CB . 25995 1 816 . 1 1 73 73 LEU CG C 13 27.3 0.023 . 1 . . . A 73 LEU CG . 25995 1 817 . 1 1 73 73 LEU CD1 C 13 25.803 0.088 . 2 . . . A 73 LEU CD1 . 25995 1 818 . 1 1 73 73 LEU CD2 C 13 24.19 0.084 . 2 . . . A 73 LEU CD2 . 25995 1 819 . 1 1 73 73 LEU N N 15 126.398 0.057 . 1 . . . A 73 LEU N . 25995 1 820 . 1 1 74 74 ILE H H 1 8.246 0.002 . 1 . . . A 74 ILE H . 25995 1 821 . 1 1 74 74 ILE HA H 1 4.323 0.006 . 1 . . . A 74 ILE HA . 25995 1 822 . 1 1 74 74 ILE HB H 1 1.55 0.002 . 1 . . . A 74 ILE HB . 25995 1 823 . 1 1 74 74 ILE HG12 H 1 1.215 0.002 . 2 . . . A 74 ILE HG12 . 25995 1 824 . 1 1 74 74 ILE HG13 H 1 -0.028 0.002 . 2 . . . A 74 ILE HG13 . 25995 1 825 . 1 1 74 74 ILE HG21 H 1 0.497 0.004 . 1 . . . A 74 ILE HG21 . 25995 1 826 . 1 1 74 74 ILE HG22 H 1 0.497 0.004 . 1 . . . A 74 ILE HG22 . 25995 1 827 . 1 1 74 74 ILE HG23 H 1 0.497 0.004 . 1 . . . A 74 ILE HG23 . 25995 1 828 . 1 1 74 74 ILE HD11 H 1 0.632 0.002 . 1 . . . A 74 ILE HD11 . 25995 1 829 . 1 1 74 74 ILE HD12 H 1 0.632 0.002 . 1 . . . A 74 ILE HD12 . 25995 1 830 . 1 1 74 74 ILE HD13 H 1 0.632 0.002 . 1 . . . A 74 ILE HD13 . 25995 1 831 . 1 1 74 74 ILE C C 13 172.729 0 . 1 . . . A 74 ILE C . 25995 1 832 . 1 1 74 74 ILE CA C 13 60.819 0.063 . 1 . . . A 74 ILE CA . 25995 1 833 . 1 1 74 74 ILE CB C 13 36.921 0.008 . 1 . . . A 74 ILE CB . 25995 1 834 . 1 1 74 74 ILE CG1 C 13 27.412 0.008 . 1 . . . A 74 ILE CG1 . 25995 1 835 . 1 1 74 74 ILE CG2 C 13 18.394 0.017 . 1 . . . A 74 ILE CG2 . 25995 1 836 . 1 1 74 74 ILE CD1 C 13 12.728 0.03 . 1 . . . A 74 ILE CD1 . 25995 1 837 . 1 1 74 74 ILE N N 15 123.951 0.03 . 1 . . . A 74 ILE N . 25995 1 838 . 1 1 75 75 ILE H H 1 8.069 0.012 . 1 . . . A 75 ILE H . 25995 1 839 . 1 1 75 75 ILE HA H 1 4.35 0.002 . 1 . . . A 75 ILE HA . 25995 1 840 . 1 1 75 75 ILE HB H 1 1.514 0.007 . 1 . . . A 75 ILE HB . 25995 1 841 . 1 1 75 75 ILE HG12 H 1 1.384 0.006 . 2 . . . A 75 ILE HG12 . 25995 1 842 . 1 1 75 75 ILE HG13 H 1 1.32 0.003 . 2 . . . A 75 ILE HG13 . 25995 1 843 . 1 1 75 75 ILE HG21 H 1 0.951 0.003 . 1 . . . A 75 ILE HG21 . 25995 1 844 . 1 1 75 75 ILE HG22 H 1 0.951 0.003 . 1 . . . A 75 ILE HG22 . 25995 1 845 . 1 1 75 75 ILE HG23 H 1 0.951 0.003 . 1 . . . A 75 ILE HG23 . 25995 1 846 . 1 1 75 75 ILE HD11 H 1 0.756 0.001 . 1 . . . A 75 ILE HD11 . 25995 1 847 . 1 1 75 75 ILE HD12 H 1 0.756 0.001 . 1 . . . A 75 ILE HD12 . 25995 1 848 . 1 1 75 75 ILE HD13 H 1 0.756 0.001 . 1 . . . A 75 ILE HD13 . 25995 1 849 . 1 1 75 75 ILE C C 13 173.369 0 . 1 . . . A 75 ILE C . 25995 1 850 . 1 1 75 75 ILE CA C 13 59.198 0.083 . 1 . . . A 75 ILE CA . 25995 1 851 . 1 1 75 75 ILE CB C 13 40.115 0.003 . 1 . . . A 75 ILE CB . 25995 1 852 . 1 1 75 75 ILE CG1 C 13 26.691 0.035 . 1 . . . A 75 ILE CG1 . 25995 1 853 . 1 1 75 75 ILE CG2 C 13 19.956 0.03 . 1 . . . A 75 ILE CG2 . 25995 1 854 . 1 1 75 75 ILE CD1 C 13 12.786 0.034 . 1 . . . A 75 ILE CD1 . 25995 1 855 . 1 1 75 75 ILE N N 15 128.953 0.01 . 1 . . . A 75 ILE N . 25995 1 856 . 1 1 76 76 PHE H H 1 9.162 0.003 . 1 . . . A 76 PHE H . 25995 1 857 . 1 1 76 76 PHE HA H 1 4.931 0.003 . 1 . . . A 76 PHE HA . 25995 1 858 . 1 1 76 76 PHE HB2 H 1 3.012 0.008 . 2 . . . A 76 PHE HB2 . 25995 1 859 . 1 1 76 76 PHE HB3 H 1 3.146 0.028 . 2 . . . A 76 PHE HB3 . 25995 1 860 . 1 1 76 76 PHE C C 13 175.163 0 . 1 . . . A 76 PHE C . 25995 1 861 . 1 1 76 76 PHE CA C 13 56.342 0.11 . 1 . . . A 76 PHE CA . 25995 1 862 . 1 1 76 76 PHE CB C 13 37.432 0.065 . 1 . . . A 76 PHE CB . 25995 1 863 . 1 1 76 76 PHE N N 15 129.669 0.029 . 1 . . . A 76 PHE N . 25995 1 864 . 1 1 77 77 PRO HA H 1 4.735 0.003 . 1 . . . A 77 PRO HA . 25995 1 865 . 1 1 77 77 PRO HB2 H 1 1.945 0 . 2 . . . A 77 PRO HB2 . 25995 1 866 . 1 1 77 77 PRO HB3 H 1 2.551 0 . 2 . . . A 77 PRO HB3 . 25995 1 867 . 1 1 77 77 PRO HG2 H 1 2.239 0 . 2 . . . A 77 PRO HG2 . 25995 1 868 . 1 1 77 77 PRO HG3 H 1 1.898 0 . 2 . . . A 77 PRO HG3 . 25995 1 869 . 1 1 77 77 PRO C C 13 171.714 0.02 . 1 . . . A 77 PRO C . 25995 1 870 . 1 1 77 77 PRO CA C 13 64.439 0.066 . 1 . . . A 77 PRO CA . 25995 1 871 . 1 1 77 77 PRO CB C 13 31.08 0 . 1 . . . A 77 PRO CB . 25995 1 872 . 1 1 78 78 ASP H H 1 9.033 0.003 . 1 . . . A 78 ASP H . 25995 1 873 . 1 1 78 78 ASP HA H 1 4.354 0.001 . 1 . . . A 78 ASP HA . 25995 1 874 . 1 1 78 78 ASP HB2 H 1 2.909 0.009 . 2 . . . A 78 ASP HB2 . 25995 1 875 . 1 1 78 78 ASP HB3 H 1 2.979 0.002 . 2 . . . A 78 ASP HB3 . 25995 1 876 . 1 1 78 78 ASP C C 13 172.93 0.021 . 1 . . . A 78 ASP C . 25995 1 877 . 1 1 78 78 ASP CA C 13 56.424 0.071 . 1 . . . A 78 ASP CA . 25995 1 878 . 1 1 78 78 ASP CB C 13 40.296 0.115 . 1 . . . A 78 ASP CB . 25995 1 879 . 1 1 78 78 ASP N N 15 119.022 0.032 . 1 . . . A 78 ASP N . 25995 1 880 . 1 1 79 79 ASP H H 1 8.209 0.005 . 1 . . . A 79 ASP H . 25995 1 881 . 1 1 79 79 ASP HA H 1 4.656 0.006 . 1 . . . A 79 ASP HA . 25995 1 882 . 1 1 79 79 ASP HB2 H 1 2.866 0.003 . 2 . . . A 79 ASP HB2 . 25995 1 883 . 1 1 79 79 ASP HB3 H 1 3.178 0.002 . 2 . . . A 79 ASP HB3 . 25995 1 884 . 1 1 79 79 ASP C C 13 169.553 0.02 . 1 . . . A 79 ASP C . 25995 1 885 . 1 1 79 79 ASP CA C 13 57.203 0.084 . 1 . . . A 79 ASP CA . 25995 1 886 . 1 1 79 79 ASP CB C 13 42.41 0.079 . 1 . . . A 79 ASP CB . 25995 1 887 . 1 1 79 79 ASP N N 15 119.968 0.042 . 1 . . . A 79 ASP N . 25995 1 888 . 1 1 80 80 CYS H H 1 9.224 0.006 . 1 . . . A 80 CYS H . 25995 1 889 . 1 1 80 80 CYS HA H 1 5.307 0.005 . 1 . . . A 80 CYS HA . 25995 1 890 . 1 1 80 80 CYS HB2 H 1 1.956 0.004 . 2 . . . A 80 CYS HB2 . 25995 1 891 . 1 1 80 80 CYS HB3 H 1 2.155 0.002 . 2 . . . A 80 CYS HB3 . 25995 1 892 . 1 1 80 80 CYS C C 13 175.517 0.008 . 1 . . . A 80 CYS C . 25995 1 893 . 1 1 80 80 CYS CA C 13 56.948 0.092 . 1 . . . A 80 CYS CA . 25995 1 894 . 1 1 80 80 CYS CB C 13 32.825 0.132 . 1 . . . A 80 CYS CB . 25995 1 895 . 1 1 80 80 CYS N N 15 115.835 0.041 . 1 . . . A 80 CYS N . 25995 1 896 . 1 1 81 81 GLU H H 1 8.108 0.003 . 1 . . . A 81 GLU H . 25995 1 897 . 1 1 81 81 GLU HA H 1 4.509 0.005 . 1 . . . A 81 GLU HA . 25995 1 898 . 1 1 81 81 GLU HB2 H 1 1.856 0.009 . 2 . . . A 81 GLU HB2 . 25995 1 899 . 1 1 81 81 GLU HB3 H 1 1.856 0.009 . 2 . . . A 81 GLU HB3 . 25995 1 900 . 1 1 81 81 GLU HG2 H 1 2.064 0.003 . 2 . . . A 81 GLU HG2 . 25995 1 901 . 1 1 81 81 GLU HG3 H 1 2.064 0.003 . 2 . . . A 81 GLU HG3 . 25995 1 902 . 1 1 81 81 GLU C C 13 175.798 0.017 . 1 . . . A 81 GLU C . 25995 1 903 . 1 1 81 81 GLU CA C 13 54.562 0.052 . 1 . . . A 81 GLU CA . 25995 1 904 . 1 1 81 81 GLU CB C 13 33.635 0.04 . 1 . . . A 81 GLU CB . 25995 1 905 . 1 1 81 81 GLU CG C 13 35.444 0.03 . 1 . . . A 81 GLU CG . 25995 1 906 . 1 1 81 81 GLU N N 15 116.831 0.057 . 1 . . . A 81 GLU N . 25995 1 907 . 1 1 82 82 PHE H H 1 9.381 0.006 . 1 . . . A 82 PHE H . 25995 1 908 . 1 1 82 82 PHE HA H 1 6.17 0.006 . 1 . . . A 82 PHE HA . 25995 1 909 . 1 1 82 82 PHE HB2 H 1 2.598 0 . 2 . . . A 82 PHE HB2 . 25995 1 910 . 1 1 82 82 PHE HB3 H 1 3.132 0.007 . 2 . . . A 82 PHE HB3 . 25995 1 911 . 1 1 82 82 PHE C C 13 173.335 0.005 . 1 . . . A 82 PHE C . 25995 1 912 . 1 1 82 82 PHE CA C 13 55.091 0.057 . 1 . . . A 82 PHE CA . 25995 1 913 . 1 1 82 82 PHE CB C 13 42.055 0.075 . 1 . . . A 82 PHE CB . 25995 1 914 . 1 1 82 82 PHE N N 15 127.902 0.051 . 1 . . . A 82 PHE N . 25995 1 915 . 1 1 83 83 LYS H H 1 8.902 0.003 . 1 . . . A 83 LYS H . 25995 1 916 . 1 1 83 83 LYS HA H 1 4.799 0.007 . 1 . . . A 83 LYS HA . 25995 1 917 . 1 1 83 83 LYS HB2 H 1 1.6 0.007 . 2 . . . A 83 LYS HB2 . 25995 1 918 . 1 1 83 83 LYS HB3 H 1 1.745 0.006 . 2 . . . A 83 LYS HB3 . 25995 1 919 . 1 1 83 83 LYS HG2 H 1 1.246 0.002 . 2 . . . A 83 LYS HG2 . 25995 1 920 . 1 1 83 83 LYS HG3 H 1 1.246 0.002 . 2 . . . A 83 LYS HG3 . 25995 1 921 . 1 1 83 83 LYS HD2 H 1 1.566 0.008 . 2 . . . A 83 LYS HD2 . 25995 1 922 . 1 1 83 83 LYS HD3 H 1 1.566 0.008 . 2 . . . A 83 LYS HD3 . 25995 1 923 . 1 1 83 83 LYS HE2 H 1 2.884 0.008 . 2 . . . A 83 LYS HE2 . 25995 1 924 . 1 1 83 83 LYS HE3 H 1 2.795 0.004 . 2 . . . A 83 LYS HE3 . 25995 1 925 . 1 1 83 83 LYS C C 13 174.985 0.007 . 1 . . . A 83 LYS C . 25995 1 926 . 1 1 83 83 LYS CA C 13 54.371 0.057 . 1 . . . A 83 LYS CA . 25995 1 927 . 1 1 83 83 LYS CB C 13 36.244 0.072 . 1 . . . A 83 LYS CB . 25995 1 928 . 1 1 83 83 LYS CG C 13 23.362 0.034 . 1 . . . A 83 LYS CG . 25995 1 929 . 1 1 83 83 LYS CD C 13 28.909 0.052 . 1 . . . A 83 LYS CD . 25995 1 930 . 1 1 83 83 LYS CE C 13 41.572 0.033 . 1 . . . A 83 LYS CE . 25995 1 931 . 1 1 83 83 LYS N N 15 124.895 0.047 . 1 . . . A 83 LYS N . 25995 1 932 . 1 1 84 84 ARG H H 1 8.722 0.005 . 1 . . . A 84 ARG H . 25995 1 933 . 1 1 84 84 ARG HA H 1 3.265 0.004 . 1 . . . A 84 ARG HA . 25995 1 934 . 1 1 84 84 ARG HB2 H 1 1.448 0 . 2 . . . A 84 ARG HB2 . 25995 1 935 . 1 1 84 84 ARG HB3 H 1 1.505 0 . 2 . . . A 84 ARG HB3 . 25995 1 936 . 1 1 84 84 ARG HG2 H 1 0.971 0.005 . 2 . . . A 84 ARG HG2 . 25995 1 937 . 1 1 84 84 ARG HG3 H 1 1.207 0.009 . 2 . . . A 84 ARG HG3 . 25995 1 938 . 1 1 84 84 ARG HD2 H 1 2.994 0.006 . 2 . . . A 84 ARG HD2 . 25995 1 939 . 1 1 84 84 ARG HD3 H 1 3.103 0.002 . 2 . . . A 84 ARG HD3 . 25995 1 940 . 1 1 84 84 ARG C C 13 172.373 0 . 1 . . . A 84 ARG C . 25995 1 941 . 1 1 84 84 ARG CA C 13 55.945 0.018 . 1 . . . A 84 ARG CA . 25995 1 942 . 1 1 84 84 ARG CB C 13 30.236 0.161 . 1 . . . A 84 ARG CB . 25995 1 943 . 1 1 84 84 ARG CG C 13 27.323 0.065 . 1 . . . A 84 ARG CG . 25995 1 944 . 1 1 84 84 ARG CD C 13 42.775 0.018 . 1 . . . A 84 ARG CD . 25995 1 945 . 1 1 84 84 ARG N N 15 123.81 0.047 . 1 . . . A 84 ARG N . 25995 1 946 . 1 1 85 85 VAL H H 1 8.217 0.014 . 1 . . . A 85 VAL H . 25995 1 947 . 1 1 85 85 VAL HA H 1 4.312 0.003 . 1 . . . A 85 VAL HA . 25995 1 948 . 1 1 85 85 VAL HB H 1 1.935 0.002 . 1 . . . A 85 VAL HB . 25995 1 949 . 1 1 85 85 VAL HG11 H 1 0.946 0.002 . 2 . . . A 85 VAL HG11 . 25995 1 950 . 1 1 85 85 VAL HG12 H 1 0.946 0.002 . 2 . . . A 85 VAL HG12 . 25995 1 951 . 1 1 85 85 VAL HG13 H 1 0.946 0.002 . 2 . . . A 85 VAL HG13 . 25995 1 952 . 1 1 85 85 VAL C C 13 172.214 0 . 1 . . . A 85 VAL C . 25995 1 953 . 1 1 85 85 VAL CA C 13 59.553 0.084 . 1 . . . A 85 VAL CA . 25995 1 954 . 1 1 85 85 VAL CB C 13 31.134 0 . 1 . . . A 85 VAL CB . 25995 1 955 . 1 1 85 85 VAL CG1 C 13 21.41 0.022 . 2 . . . A 85 VAL CG1 . 25995 1 956 . 1 1 85 85 VAL N N 15 127.091 0.029 . 1 . . . A 85 VAL N . 25995 1 957 . 1 1 86 86 PRO HA H 1 4.289 0.004 . 1 . . . A 86 PRO HA . 25995 1 958 . 1 1 86 86 PRO HB2 H 1 1.947 0 . 2 . . . A 86 PRO HB2 . 25995 1 959 . 1 1 86 86 PRO HB3 H 1 2.231 0.004 . 2 . . . A 86 PRO HB3 . 25995 1 960 . 1 1 86 86 PRO HG2 H 1 1.912 0 . 2 . . . A 86 PRO HG2 . 25995 1 961 . 1 1 86 86 PRO HG3 H 1 2.012 0.006 . 2 . . . A 86 PRO HG3 . 25995 1 962 . 1 1 86 86 PRO C C 13 171.639 0 . 1 . . . A 86 PRO C . 25995 1 963 . 1 1 86 86 PRO CA C 13 63.902 0.036 . 1 . . . A 86 PRO CA . 25995 1 964 . 1 1 86 86 PRO CB C 13 31.527 0.112 . 1 . . . A 86 PRO CB . 25995 1 965 . 1 1 86 86 PRO CG C 13 26.91 0.083 . 1 . . . A 86 PRO CG . 25995 1 966 . 1 1 87 87 GLN H H 1 8.411 0.005 . 1 . . . A 87 GLN H . 25995 1 967 . 1 1 87 87 GLN HA H 1 4.206 0.004 . 1 . . . A 87 GLN HA . 25995 1 968 . 1 1 87 87 GLN HB2 H 1 2.067 0 . 1 . . . A 87 GLN HB2 . 25995 1 969 . 1 1 87 87 GLN HB3 H 1 2.14 0 . 2 . . . A 87 GLN HB3 . 25995 1 970 . 1 1 87 87 GLN HG2 H 1 2.422 0.003 . 2 . . . A 87 GLN HG2 . 25995 1 971 . 1 1 87 87 GLN HG3 H 1 2.345 0.002 . 2 . . . A 87 GLN HG3 . 25995 1 972 . 1 1 87 87 GLN HE21 H 1 7.002 0 . 2 . . . A 87 GLN HE21 . 25995 1 973 . 1 1 87 87 GLN HE22 H 1 7.59 0 . 2 . . . A 87 GLN HE22 . 25995 1 974 . 1 1 87 87 GLN C C 13 173.353 0.02 . 1 . . . A 87 GLN C . 25995 1 975 . 1 1 87 87 GLN CA C 13 56.596 0.065 . 1 . . . A 87 GLN CA . 25995 1 976 . 1 1 87 87 GLN CB C 13 27.311 0.056 . 1 . . . A 87 GLN CB . 25995 1 977 . 1 1 87 87 GLN CG C 13 33.385 0.041 . 1 . . . A 87 GLN CG . 25995 1 978 . 1 1 87 87 GLN N N 15 115.544 0.057 . 1 . . . A 87 GLN N . 25995 1 979 . 1 1 87 87 GLN NE2 N 15 112.428 0.002 . 1 . . . A 87 GLN NE2 . 25995 1 980 . 1 1 88 88 CYS H H 1 7.443 0.009 . 1 . . . A 88 CYS H . 25995 1 981 . 1 1 88 88 CYS HA H 1 4.812 0.003 . 1 . . . A 88 CYS HA . 25995 1 982 . 1 1 88 88 CYS HB2 H 1 2.776 0.005 . 2 . . . A 88 CYS HB2 . 25995 1 983 . 1 1 88 88 CYS HB3 H 1 3.019 0.007 . 2 . . . A 88 CYS HB3 . 25995 1 984 . 1 1 88 88 CYS C C 13 174.402 0 . 1 . . . A 88 CYS C . 25995 1 985 . 1 1 88 88 CYS CA C 13 56.499 0.046 . 1 . . . A 88 CYS CA . 25995 1 986 . 1 1 88 88 CYS CB C 13 27.097 0.146 . 1 . . . A 88 CYS CB . 25995 1 987 . 1 1 88 88 CYS N N 15 119.15 0.065 . 1 . . . A 88 CYS N . 25995 1 988 . 1 1 90 90 SER HA H 1 4.381 0 . 1 . . . A 90 SER HA . 25995 1 989 . 1 1 90 90 SER HB2 H 1 3.872 0.002 . 2 . . . A 90 SER HB2 . 25995 1 990 . 1 1 90 90 SER HB3 H 1 3.872 0.002 . 2 . . . A 90 SER HB3 . 25995 1 991 . 1 1 90 90 SER C C 13 173.564 0 . 1 . . . A 90 SER C . 25995 1 992 . 1 1 90 90 SER CA C 13 58.971 0.034 . 1 . . . A 90 SER CA . 25995 1 993 . 1 1 90 90 SER CB C 13 63.244 0.093 . 1 . . . A 90 SER CB . 25995 1 994 . 1 1 91 91 GLY H H 1 7.859 0.003 . 1 . . . A 91 GLY H . 25995 1 995 . 1 1 91 91 GLY HA2 H 1 4.041 0 . 2 . . . A 91 GLY HA2 . 25995 1 996 . 1 1 91 91 GLY HA3 H 1 4.041 0 . 2 . . . A 91 GLY HA3 . 25995 1 997 . 1 1 91 91 GLY C C 13 174.876 0.016 . 1 . . . A 91 GLY C . 25995 1 998 . 1 1 91 91 GLY CA C 13 45.251 0.028 . 1 . . . A 91 GLY CA . 25995 1 999 . 1 1 91 91 GLY N N 15 108.818 0.054 . 1 . . . A 91 GLY N . 25995 1 1000 . 1 1 92 92 ARG H H 1 8.526 0.005 . 1 . . . A 92 ARG H . 25995 1 1001 . 1 1 92 92 ARG HA H 1 4.628 0 . 1 . . . A 92 ARG HA . 25995 1 1002 . 1 1 92 92 ARG C C 13 173.883 0.022 . 1 . . . A 92 ARG C . 25995 1 1003 . 1 1 92 92 ARG CA C 13 54.987 0.082 . 1 . . . A 92 ARG CA . 25995 1 1004 . 1 1 92 92 ARG CB C 13 29.836 0 . 1 . . . A 92 ARG CB . 25995 1 1005 . 1 1 92 92 ARG N N 15 118.39 0.052 . 1 . . . A 92 ARG N . 25995 1 1006 . 1 1 93 93 VAL H H 1 8.128 0.006 . 1 . . . A 93 VAL H . 25995 1 1007 . 1 1 93 93 VAL HA H 1 5.148 0.004 . 1 . . . A 93 VAL HA . 25995 1 1008 . 1 1 93 93 VAL HB H 1 1.984 0.003 . 1 . . . A 93 VAL HB . 25995 1 1009 . 1 1 93 93 VAL HG11 H 1 1.124 0.002 . 2 . . . A 93 VAL HG11 . 25995 1 1010 . 1 1 93 93 VAL HG12 H 1 1.124 0.002 . 2 . . . A 93 VAL HG12 . 25995 1 1011 . 1 1 93 93 VAL HG13 H 1 1.124 0.002 . 2 . . . A 93 VAL HG13 . 25995 1 1012 . 1 1 93 93 VAL HG21 H 1 0.98 0.005 . 2 . . . A 93 VAL HG21 . 25995 1 1013 . 1 1 93 93 VAL HG22 H 1 0.98 0.005 . 2 . . . A 93 VAL HG22 . 25995 1 1014 . 1 1 93 93 VAL HG23 H 1 0.98 0.005 . 2 . . . A 93 VAL HG23 . 25995 1 1015 . 1 1 93 93 VAL C C 13 173.692 0 . 1 . . . A 93 VAL C . 25995 1 1016 . 1 1 93 93 VAL CA C 13 62.114 0.071 . 1 . . . A 93 VAL CA . 25995 1 1017 . 1 1 93 93 VAL CB C 13 32.407 0.17 . 1 . . . A 93 VAL CB . 25995 1 1018 . 1 1 93 93 VAL CG1 C 13 21.139 0.001 . 2 . . . A 93 VAL CG1 . 25995 1 1019 . 1 1 93 93 VAL CG2 C 13 21.724 0.049 . 2 . . . A 93 VAL CG2 . 25995 1 1020 . 1 1 93 93 VAL N N 15 121.802 0.047 . 1 . . . A 93 VAL N . 25995 1 1021 . 1 1 94 94 TYR H H 1 9.561 0.003 . 1 . . . A 94 TYR H . 25995 1 1022 . 1 1 94 94 TYR HA H 1 4.811 0.001 . 1 . . . A 94 TYR HA . 25995 1 1023 . 1 1 94 94 TYR HB2 H 1 2.379 0 . 2 . . . A 94 TYR HB2 . 25995 1 1024 . 1 1 94 94 TYR HB3 H 1 1.732 0 . 2 . . . A 94 TYR HB3 . 25995 1 1025 . 1 1 94 94 TYR C C 13 175.517 0 . 1 . . . A 94 TYR C . 25995 1 1026 . 1 1 94 94 TYR CA C 13 56.336 0.105 . 1 . . . A 94 TYR CA . 25995 1 1027 . 1 1 94 94 TYR CB C 13 44.045 0.081 . 1 . . . A 94 TYR CB . 25995 1 1028 . 1 1 94 94 TYR N N 15 127.635 0.042 . 1 . . . A 94 TYR N . 25995 1 1029 . 1 1 95 95 VAL H H 1 9.228 0.005 . 1 . . . A 95 VAL H . 25995 1 1030 . 1 1 95 95 VAL HA H 1 5.11 0.005 . 1 . . . A 95 VAL HA . 25995 1 1031 . 1 1 95 95 VAL HB H 1 1.505 0.003 . 1 . . . A 95 VAL HB . 25995 1 1032 . 1 1 95 95 VAL HG11 H 1 0.758 0.005 . 2 . . . A 95 VAL HG11 . 25995 1 1033 . 1 1 95 95 VAL HG12 H 1 0.758 0.005 . 2 . . . A 95 VAL HG12 . 25995 1 1034 . 1 1 95 95 VAL HG13 H 1 0.758 0.005 . 2 . . . A 95 VAL HG13 . 25995 1 1035 . 1 1 95 95 VAL HG21 H 1 -0.002 0.001 . 2 . . . A 95 VAL HG21 . 25995 1 1036 . 1 1 95 95 VAL HG22 H 1 -0.002 0.001 . 2 . . . A 95 VAL HG22 . 25995 1 1037 . 1 1 95 95 VAL HG23 H 1 -0.002 0.001 . 2 . . . A 95 VAL HG23 . 25995 1 1038 . 1 1 95 95 VAL C C 13 176.412 0.003 . 1 . . . A 95 VAL C . 25995 1 1039 . 1 1 95 95 VAL CA C 13 56.791 0.058 . 1 . . . A 95 VAL CA . 25995 1 1040 . 1 1 95 95 VAL CB C 13 35.757 0.08 . 1 . . . A 95 VAL CB . 25995 1 1041 . 1 1 95 95 VAL CG1 C 13 18.828 0.05 . 2 . . . A 95 VAL CG1 . 25995 1 1042 . 1 1 95 95 VAL CG2 C 13 21.589 0.013 . 2 . . . A 95 VAL CG2 . 25995 1 1043 . 1 1 95 95 VAL N N 15 119.349 0.044 . 1 . . . A 95 VAL N . 25995 1 1044 . 1 1 96 96 LEU H H 1 9.377 0.004 . 1 . . . A 96 LEU H . 25995 1 1045 . 1 1 96 96 LEU HA H 1 4.962 0.005 . 1 . . . A 96 LEU HA . 25995 1 1046 . 1 1 96 96 LEU HB2 H 1 1.098 0.007 . 2 . . . A 96 LEU HB2 . 25995 1 1047 . 1 1 96 96 LEU HB3 H 1 2.15 0.012 . 2 . . . A 96 LEU HB3 . 25995 1 1048 . 1 1 96 96 LEU HG H 1 0.803 0.004 . 1 . . . A 96 LEU HG . 25995 1 1049 . 1 1 96 96 LEU HD11 H 1 0.272 0.1 . 2 . . . A 96 LEU HD11 . 25995 1 1050 . 1 1 96 96 LEU HD12 H 1 0.272 0.1 . 2 . . . A 96 LEU HD12 . 25995 1 1051 . 1 1 96 96 LEU HD13 H 1 0.272 0.1 . 2 . . . A 96 LEU HD13 . 25995 1 1052 . 1 1 96 96 LEU HD21 H 1 -0.064 0.003 . 2 . . . A 96 LEU HD21 . 25995 1 1053 . 1 1 96 96 LEU HD22 H 1 -0.064 0.003 . 2 . . . A 96 LEU HD22 . 25995 1 1054 . 1 1 96 96 LEU HD23 H 1 -0.064 0.003 . 2 . . . A 96 LEU HD23 . 25995 1 1055 . 1 1 96 96 LEU C C 13 174.617 0 . 1 . . . A 96 LEU C . 25995 1 1056 . 1 1 96 96 LEU CA C 13 53.285 0.059 . 1 . . . A 96 LEU CA . 25995 1 1057 . 1 1 96 96 LEU CB C 13 42.935 0.148 . 1 . . . A 96 LEU CB . 25995 1 1058 . 1 1 96 96 LEU CG C 13 26.539 0.035 . 1 . . . A 96 LEU CG . 25995 1 1059 . 1 1 96 96 LEU CD1 C 13 22.512 0.063 . 2 . . . A 96 LEU CD1 . 25995 1 1060 . 1 1 96 96 LEU CD2 C 13 24.467 0.026 . 2 . . . A 96 LEU CD2 . 25995 1 1061 . 1 1 96 96 LEU N N 15 128.196 0.03 . 1 . . . A 96 LEU N . 25995 1 1062 . 1 1 97 97 LYS H H 1 8.975 0.004 . 1 . . . A 97 LYS H . 25995 1 1063 . 1 1 97 97 LYS HA H 1 4.721 0.007 . 1 . . . A 97 LYS HA . 25995 1 1064 . 1 1 97 97 LYS HB2 H 1 1.555 0.007 . 2 . . . A 97 LYS HB2 . 25995 1 1065 . 1 1 97 97 LYS HB3 H 1 1.798 0.003 . 2 . . . A 97 LYS HB3 . 25995 1 1066 . 1 1 97 97 LYS HG2 H 1 1.27 0.007 . 2 . . . A 97 LYS HG2 . 25995 1 1067 . 1 1 97 97 LYS HG3 H 1 1.148 0.005 . 2 . . . A 97 LYS HG3 . 25995 1 1068 . 1 1 97 97 LYS HD2 H 1 1.635 0.002 . 2 . . . A 97 LYS HD2 . 25995 1 1069 . 1 1 97 97 LYS HD3 H 1 1.635 0.002 . 2 . . . A 97 LYS HD3 . 25995 1 1070 . 1 1 97 97 LYS HE2 H 1 2.857 0.004 . 2 . . . A 97 LYS HE2 . 25995 1 1071 . 1 1 97 97 LYS HE3 H 1 2.857 0.004 . 2 . . . A 97 LYS HE3 . 25995 1 1072 . 1 1 97 97 LYS C C 13 172.938 0.039 . 1 . . . A 97 LYS C . 25995 1 1073 . 1 1 97 97 LYS CA C 13 54.361 0.044 . 1 . . . A 97 LYS CA . 25995 1 1074 . 1 1 97 97 LYS CB C 13 34.769 0.179 . 1 . . . A 97 LYS CB . 25995 1 1075 . 1 1 97 97 LYS CG C 13 24.657 0.097 . 1 . . . A 97 LYS CG . 25995 1 1076 . 1 1 97 97 LYS CD C 13 29.01 0 . 1 . . . A 97 LYS CD . 25995 1 1077 . 1 1 97 97 LYS CE C 13 41.613 0.013 . 1 . . . A 97 LYS CE . 25995 1 1078 . 1 1 97 97 LYS N N 15 126.678 0.02 . 1 . . . A 97 LYS N . 25995 1 1079 . 1 1 98 98 PHE H H 1 8.111 0.005 . 1 . . . A 98 PHE H . 25995 1 1080 . 1 1 98 98 PHE HA H 1 4.779 0.001 . 1 . . . A 98 PHE HA . 25995 1 1081 . 1 1 98 98 PHE HB2 H 1 3.229 0 . 2 . . . A 98 PHE HB2 . 25995 1 1082 . 1 1 98 98 PHE HB3 H 1 3.113 0 . 2 . . . A 98 PHE HB3 . 25995 1 1083 . 1 1 98 98 PHE C C 13 172.517 0 . 1 . . . A 98 PHE C . 25995 1 1084 . 1 1 98 98 PHE CA C 13 57.387 0.046 . 1 . . . A 98 PHE CA . 25995 1 1085 . 1 1 98 98 PHE CB C 13 38.155 0.029 . 1 . . . A 98 PHE CB . 25995 1 1086 . 1 1 98 98 PHE N N 15 126.325 0.035 . 1 . . . A 98 PHE N . 25995 1 1087 . 1 1 99 99 LYS H H 1 8.457 0.004 . 1 . . . A 99 LYS H . 25995 1 1088 . 1 1 99 99 LYS HA H 1 3.963 0.005 . 1 . . . A 99 LYS HA . 25995 1 1089 . 1 1 99 99 LYS HB2 H 1 1.797 0.007 . 2 . . . A 99 LYS HB2 . 25995 1 1090 . 1 1 99 99 LYS HB3 H 1 1.885 0.003 . 2 . . . A 99 LYS HB3 . 25995 1 1091 . 1 1 99 99 LYS HG2 H 1 1.353 0.002 . 2 . . . A 99 LYS HG2 . 25995 1 1092 . 1 1 99 99 LYS HG3 H 1 1.353 0.002 . 2 . . . A 99 LYS HG3 . 25995 1 1093 . 1 1 99 99 LYS HD2 H 1 1.64 0.003 . 2 . . . A 99 LYS HD2 . 25995 1 1094 . 1 1 99 99 LYS HD3 H 1 1.64 0.003 . 2 . . . A 99 LYS HD3 . 25995 1 1095 . 1 1 99 99 LYS HE2 H 1 2.851 0.012 . 2 . . . A 99 LYS HE2 . 25995 1 1096 . 1 1 99 99 LYS HE3 H 1 2.813 0.007 . 2 . . . A 99 LYS HE3 . 25995 1 1097 . 1 1 99 99 LYS C C 13 171.494 0 . 1 . . . A 99 LYS C . 25995 1 1098 . 1 1 99 99 LYS CA C 13 58.97 0.086 . 1 . . . A 99 LYS CA . 25995 1 1099 . 1 1 99 99 LYS CB C 13 31.961 0.085 . 1 . . . A 99 LYS CB . 25995 1 1100 . 1 1 99 99 LYS CG C 13 25.259 0.032 . 1 . . . A 99 LYS CG . 25995 1 1101 . 1 1 99 99 LYS CD C 13 28.812 0.111 . 1 . . . A 99 LYS CD . 25995 1 1102 . 1 1 99 99 LYS CE C 13 41.537 0.01 . 1 . . . A 99 LYS CE . 25995 1 1103 . 1 1 99 99 LYS N N 15 123.548 0.048 . 1 . . . A 99 LYS N . 25995 1 1104 . 1 1 100 100 ALA H H 1 8.958 0.004 . 1 . . . A 100 ALA H . 25995 1 1105 . 1 1 100 100 ALA HA H 1 4.556 0.003 . 1 . . . A 100 ALA HA . 25995 1 1106 . 1 1 100 100 ALA HB1 H 1 1.441 0.003 . 1 . . . A 100 ALA HB1 . 25995 1 1107 . 1 1 100 100 ALA HB2 H 1 1.441 0.003 . 1 . . . A 100 ALA HB2 . 25995 1 1108 . 1 1 100 100 ALA HB3 H 1 1.441 0.003 . 1 . . . A 100 ALA HB3 . 25995 1 1109 . 1 1 100 100 ALA C C 13 171.068 0.007 . 1 . . . A 100 ALA C . 25995 1 1110 . 1 1 100 100 ALA CA C 13 51.55 0.044 . 1 . . . A 100 ALA CA . 25995 1 1111 . 1 1 100 100 ALA CB C 13 18.671 0.119 . 1 . . . A 100 ALA CB . 25995 1 1112 . 1 1 100 100 ALA N N 15 121.815 0.051 . 1 . . . A 100 ALA N . 25995 1 1113 . 1 1 101 101 GLY H H 1 8.075 0.003 . 1 . . . A 101 GLY H . 25995 1 1114 . 1 1 101 101 GLY HA2 H 1 4.024 0 . 2 . . . A 101 GLY HA2 . 25995 1 1115 . 1 1 101 101 GLY HA3 H 1 4.024 0 . 2 . . . A 101 GLY HA3 . 25995 1 1116 . 1 1 101 101 GLY C C 13 174.895 0 . 1 . . . A 101 GLY C . 25995 1 1117 . 1 1 101 101 GLY CA C 13 45.232 0.08 . 1 . . . A 101 GLY CA . 25995 1 1118 . 1 1 101 101 GLY N N 15 108.063 0.062 . 1 . . . A 101 GLY N . 25995 1 1119 . 1 1 102 102 SER H H 1 8.233 0 . 1 . . . A 102 SER H . 25995 1 1120 . 1 1 102 102 SER HA H 1 4.443 0 . 1 . . . A 102 SER HA . 25995 1 1121 . 1 1 102 102 SER HB2 H 1 3.932 0 . 2 . . . A 102 SER HB2 . 25995 1 1122 . 1 1 102 102 SER HB3 H 1 3.932 0 . 2 . . . A 102 SER HB3 . 25995 1 1123 . 1 1 102 102 SER C C 13 173.952 0 . 1 . . . A 102 SER C . 25995 1 1124 . 1 1 102 102 SER CA C 13 58.177 0.032 . 1 . . . A 102 SER CA . 25995 1 1125 . 1 1 102 102 SER CB C 13 63.619 0.032 . 1 . . . A 102 SER CB . 25995 1 1126 . 1 1 102 102 SER N N 15 115.478 0 . 1 . . . A 102 SER N . 25995 1 1127 . 1 1 103 103 LYS H H 1 7.922 0.004 . 1 . . . A 103 LYS H . 25995 1 1128 . 1 1 103 103 LYS HA H 1 4.245 0.003 . 1 . . . A 103 LYS HA . 25995 1 1129 . 1 1 103 103 LYS HB2 H 1 1.419 0.006 . 2 . . . A 103 LYS HB2 . 25995 1 1130 . 1 1 103 103 LYS HB3 H 1 1.501 0.004 . 2 . . . A 103 LYS HB3 . 25995 1 1131 . 1 1 103 103 LYS HG2 H 1 1.284 0.006 . 2 . . . A 103 LYS HG2 . 25995 1 1132 . 1 1 103 103 LYS HG3 H 1 0.98 0.002 . 2 . . . A 103 LYS HG3 . 25995 1 1133 . 1 1 103 103 LYS HD2 H 1 1.158 0.003 . 2 . . . A 103 LYS HD2 . 25995 1 1134 . 1 1 103 103 LYS HD3 H 1 1.059 0.005 . 2 . . . A 103 LYS HD3 . 25995 1 1135 . 1 1 103 103 LYS HE2 H 1 2.543 0.003 . 2 . . . A 103 LYS HE2 . 25995 1 1136 . 1 1 103 103 LYS HE3 H 1 2.502 0.007 . 2 . . . A 103 LYS HE3 . 25995 1 1137 . 1 1 103 103 LYS C C 13 172.539 0.018 . 1 . . . A 103 LYS C . 25995 1 1138 . 1 1 103 103 LYS CA C 13 57.516 0.077 . 1 . . . A 103 LYS CA . 25995 1 1139 . 1 1 103 103 LYS CB C 13 32.06 0.102 . 1 . . . A 103 LYS CB . 25995 1 1140 . 1 1 103 103 LYS CG C 13 24.456 0.025 . 1 . . . A 103 LYS CG . 25995 1 1141 . 1 1 103 103 LYS CD C 13 28.394 0.017 . 1 . . . A 103 LYS CD . 25995 1 1142 . 1 1 103 103 LYS CE C 13 41.149 0.051 . 1 . . . A 103 LYS CE . 25995 1 1143 . 1 1 103 103 LYS N N 15 123.332 0.039 . 1 . . . A 103 LYS N . 25995 1 1144 . 1 1 104 104 ARG H H 1 8.345 0.006 . 1 . . . A 104 ARG H . 25995 1 1145 . 1 1 104 104 ARG HA H 1 5.155 0.005 . 1 . . . A 104 ARG HA . 25995 1 1146 . 1 1 104 104 ARG HB2 H 1 1.276 0.007 . 2 . . . A 104 ARG HB2 . 25995 1 1147 . 1 1 104 104 ARG HB3 H 1 1.604 0.003 . 2 . . . A 104 ARG HB3 . 25995 1 1148 . 1 1 104 104 ARG HG2 H 1 1.548 0 . 2 . . . A 104 ARG HG2 . 25995 1 1149 . 1 1 104 104 ARG HG3 H 1 1.651 0 . 2 . . . A 104 ARG HG3 . 25995 1 1150 . 1 1 104 104 ARG HD2 H 1 3.201 0.005 . 2 . . . A 104 ARG HD2 . 25995 1 1151 . 1 1 104 104 ARG HD3 H 1 3.101 0.002 . 2 . . . A 104 ARG HD3 . 25995 1 1152 . 1 1 104 104 ARG C C 13 174.367 0.007 . 1 . . . A 104 ARG C . 25995 1 1153 . 1 1 104 104 ARG CA C 13 54.868 0.056 . 1 . . . A 104 ARG CA . 25995 1 1154 . 1 1 104 104 ARG CB C 13 33.367 0.144 . 1 . . . A 104 ARG CB . 25995 1 1155 . 1 1 104 104 ARG CG C 13 27.053 0.084 . 1 . . . A 104 ARG CG . 25995 1 1156 . 1 1 104 104 ARG CD C 13 43.325 0.031 . 1 . . . A 104 ARG CD . 25995 1 1157 . 1 1 104 104 ARG N N 15 125.285 0.021 . 1 . . . A 104 ARG N . 25995 1 1158 . 1 1 105 105 LEU H H 1 8.318 0.003 . 1 . . . A 105 LEU H . 25995 1 1159 . 1 1 105 105 LEU HA H 1 4.637 0.004 . 1 . . . A 105 LEU HA . 25995 1 1160 . 1 1 105 105 LEU HB2 H 1 1.574 0.001 . 2 . . . A 105 LEU HB2 . 25995 1 1161 . 1 1 105 105 LEU HB3 H 1 1.671 0.004 . 2 . . . A 105 LEU HB3 . 25995 1 1162 . 1 1 105 105 LEU HG H 1 1.666 0.001 . 1 . . . A 105 LEU HG . 25995 1 1163 . 1 1 105 105 LEU HD11 H 1 1.016 0.002 . 2 . . . A 105 LEU HD11 . 25995 1 1164 . 1 1 105 105 LEU HD12 H 1 1.016 0.002 . 2 . . . A 105 LEU HD12 . 25995 1 1165 . 1 1 105 105 LEU HD13 H 1 1.016 0.002 . 2 . . . A 105 LEU HD13 . 25995 1 1166 . 1 1 105 105 LEU HD21 H 1 0.984 0.002 . 2 . . . A 105 LEU HD21 . 25995 1 1167 . 1 1 105 105 LEU HD22 H 1 0.984 0.002 . 2 . . . A 105 LEU HD22 . 25995 1 1168 . 1 1 105 105 LEU HD23 H 1 0.984 0.002 . 2 . . . A 105 LEU HD23 . 25995 1 1169 . 1 1 105 105 LEU C C 13 174.894 0 . 1 . . . A 105 LEU C . 25995 1 1170 . 1 1 105 105 LEU CA C 13 53.983 0.044 . 1 . . . A 105 LEU CA . 25995 1 1171 . 1 1 105 105 LEU CB C 13 45.125 0.2 . 1 . . . A 105 LEU CB . 25995 1 1172 . 1 1 105 105 LEU CG C 13 28.003 0.034 . 1 . . . A 105 LEU CG . 25995 1 1173 . 1 1 105 105 LEU CD1 C 13 25.245 0.029 . 2 . . . A 105 LEU CD1 . 25995 1 1174 . 1 1 105 105 LEU CD2 C 13 24.219 0.032 . 2 . . . A 105 LEU CD2 . 25995 1 1175 . 1 1 105 105 LEU N N 15 122.636 0.025 . 1 . . . A 105 LEU N . 25995 1 1176 . 1 1 106 106 PHE H H 1 8.516 0.006 . 1 . . . A 106 PHE H . 25995 1 1177 . 1 1 106 106 PHE HA H 1 5.24 0.006 . 1 . . . A 106 PHE HA . 25995 1 1178 . 1 1 106 106 PHE HB2 H 1 2.718 0.005 . 2 . . . A 106 PHE HB2 . 25995 1 1179 . 1 1 106 106 PHE HB3 H 1 2.718 0.005 . 2 . . . A 106 PHE HB3 . 25995 1 1180 . 1 1 106 106 PHE C C 13 173.763 0.002 . 1 . . . A 106 PHE C . 25995 1 1181 . 1 1 106 106 PHE CA C 13 57.04 0.046 . 1 . . . A 106 PHE CA . 25995 1 1182 . 1 1 106 106 PHE CB C 13 42.31 0.032 . 1 . . . A 106 PHE CB . 25995 1 1183 . 1 1 106 106 PHE N N 15 120.126 0.04 . 1 . . . A 106 PHE N . 25995 1 1184 . 1 1 107 107 PHE H H 1 9.512 0.003 . 1 . . . A 107 PHE H . 25995 1 1185 . 1 1 107 107 PHE HA H 1 5.771 0.005 . 1 . . . A 107 PHE HA . 25995 1 1186 . 1 1 107 107 PHE HB2 H 1 2.724 0.001 . 2 . . . A 107 PHE HB2 . 25995 1 1187 . 1 1 107 107 PHE HB3 H 1 3.383 0.002 . 2 . . . A 107 PHE HB3 . 25995 1 1188 . 1 1 107 107 PHE C C 13 174.681 0 . 1 . . . A 107 PHE C . 25995 1 1189 . 1 1 107 107 PHE CA C 13 56.402 0.1 . 1 . . . A 107 PHE CA . 25995 1 1190 . 1 1 107 107 PHE CB C 13 44.034 0.042 . 1 . . . A 107 PHE CB . 25995 1 1191 . 1 1 107 107 PHE N N 15 118.081 0.03 . 1 . . . A 107 PHE N . 25995 1 1192 . 1 1 108 108 TRP H H 1 9.126 0.005 . 1 . . . A 108 TRP H . 25995 1 1193 . 1 1 108 108 TRP HA H 1 6.027 0.007 . 1 . . . A 108 TRP HA . 25995 1 1194 . 1 1 108 108 TRP HB2 H 1 3.247 0.006 . 2 . . . A 108 TRP HB2 . 25995 1 1195 . 1 1 108 108 TRP HB3 H 1 3.415 0.003 . 2 . . . A 108 TRP HB3 . 25995 1 1196 . 1 1 108 108 TRP HE1 H 1 10.236 0 . 1 . . . A 108 TRP HE1 . 25995 1 1197 . 1 1 108 108 TRP C C 13 172.841 0 . 1 . . . A 108 TRP C . 25995 1 1198 . 1 1 108 108 TRP CA C 13 52.942 0.16 . 1 . . . A 108 TRP CA . 25995 1 1199 . 1 1 108 108 TRP CB C 13 29.828 0.126 . 1 . . . A 108 TRP CB . 25995 1 1200 . 1 1 108 108 TRP N N 15 118.098 0.04 . 1 . . . A 108 TRP N . 25995 1 1201 . 1 1 108 108 TRP NE1 N 15 129.425 0 . 1 . . . A 108 TRP NE1 . 25995 1 1202 . 1 1 109 109 MET H H 1 9.074 0.004 . 1 . . . A 109 MET H . 25995 1 1203 . 1 1 109 109 MET HA H 1 4.491 0.004 . 1 . . . A 109 MET HA . 25995 1 1204 . 1 1 109 109 MET HB2 H 1 2.671 0.005 . 2 . . . A 109 MET HB2 . 25995 1 1205 . 1 1 109 109 MET HB3 H 1 2.41 0 . 2 . . . A 109 MET HB3 . 25995 1 1206 . 1 1 109 109 MET HG2 H 1 3.242 0.001 . 2 . . . A 109 MET HG2 . 25995 1 1207 . 1 1 109 109 MET HG3 H 1 3.242 0.001 . 2 . . . A 109 MET HG3 . 25995 1 1208 . 1 1 109 109 MET HE1 H 1 1.253 0 . 1 . . . A 109 MET HE1 . 25995 1 1209 . 1 1 109 109 MET HE2 H 1 1.253 0 . 1 . . . A 109 MET HE2 . 25995 1 1210 . 1 1 109 109 MET HE3 H 1 1.253 0 . 1 . . . A 109 MET HE3 . 25995 1 1211 . 1 1 109 109 MET C C 13 172.814 0 . 1 . . . A 109 MET C . 25995 1 1212 . 1 1 109 109 MET CA C 13 56.507 0.049 . 1 . . . A 109 MET CA . 25995 1 1213 . 1 1 109 109 MET CB C 13 32.423 0.036 . 1 . . . A 109 MET CB . 25995 1 1214 . 1 1 109 109 MET CG C 13 32.685 0 . 1 . . . A 109 MET CG . 25995 1 1215 . 1 1 109 109 MET CE C 13 16.446 0 . 1 . . . A 109 MET CE . 25995 1 1216 . 1 1 109 109 MET N N 15 120.862 0.026 . 1 . . . A 109 MET N . 25995 1 1217 . 1 1 110 110 GLN H H 1 8.313 0.004 . 1 . . . A 110 GLN H . 25995 1 1218 . 1 1 110 110 GLN HA H 1 4.407 0 . 1 . . . A 110 GLN HA . 25995 1 1219 . 1 1 110 110 GLN C C 13 172.044 0 . 1 . . . A 110 GLN C . 25995 1 1220 . 1 1 110 110 GLN CA C 13 53.796 0.06 . 1 . . . A 110 GLN CA . 25995 1 1221 . 1 1 110 110 GLN CB C 13 29.298 0 . 1 . . . A 110 GLN CB . 25995 1 1222 . 1 1 110 110 GLN N N 15 117.583 0.039 . 1 . . . A 110 GLN N . 25995 1 1223 . 1 1 111 111 GLU H H 1 7.234 0.017 . 1 . . . A 111 GLU H . 25995 1 1224 . 1 1 111 111 GLU C C 13 172.972 0 . 1 . . . A 111 GLU C . 25995 1 1225 . 1 1 111 111 GLU CA C 13 54.85 0.006 . 1 . . . A 111 GLU CA . 25995 1 1226 . 1 1 111 111 GLU CB C 13 29.817 0 . 1 . . . A 111 GLU CB . 25995 1 1227 . 1 1 111 111 GLU N N 15 122.997 0.041 . 1 . . . A 111 GLU N . 25995 1 1228 . 1 1 112 112 PRO HA H 1 4.381 0.001 . 1 . . . A 112 PRO HA . 25995 1 1229 . 1 1 112 112 PRO HB2 H 1 2.071 0 . 1 . . . A 112 PRO HB2 . 25995 1 1230 . 1 1 112 112 PRO HB3 H 1 2.444 0.003 . 2 . . . A 112 PRO HB3 . 25995 1 1231 . 1 1 112 112 PRO HG2 H 1 2.165 0.011 . 2 . . . A 112 PRO HG2 . 25995 1 1232 . 1 1 112 112 PRO HG3 H 1 2.165 0.011 . 2 . . . A 112 PRO HG3 . 25995 1 1233 . 1 1 112 112 PRO HD2 H 1 4.113 0 . 2 . . . A 112 PRO HD2 . 25995 1 1234 . 1 1 112 112 PRO HD3 H 1 3.824 0 . 2 . . . A 112 PRO HD3 . 25995 1 1235 . 1 1 112 112 PRO C C 13 171.141 0 . 1 . . . A 112 PRO C . 25995 1 1236 . 1 1 112 112 PRO CA C 13 64.744 0.042 . 1 . . . A 112 PRO CA . 25995 1 1237 . 1 1 112 112 PRO CB C 13 31.985 0.093 . 1 . . . A 112 PRO CB . 25995 1 1238 . 1 1 112 112 PRO CG C 13 27.208 0.043 . 1 . . . A 112 PRO CG . 25995 1 1239 . 1 1 112 112 PRO CD C 13 50.302 0.029 . 1 . . . A 112 PRO CD . 25995 1 1240 . 1 1 113 113 LYS H H 1 7.953 0.007 . 1 . . . A 113 LYS H . 25995 1 1241 . 1 1 113 113 LYS HA H 1 4.785 0.005 . 1 . . . A 113 LYS HA . 25995 1 1242 . 1 1 113 113 LYS HB2 H 1 1.901 0.012 . 2 . . . A 113 LYS HB2 . 25995 1 1243 . 1 1 113 113 LYS HB3 H 1 2.033 0.004 . 2 . . . A 113 LYS HB3 . 25995 1 1244 . 1 1 113 113 LYS HG2 H 1 1.533 0.006 . 2 . . . A 113 LYS HG2 . 25995 1 1245 . 1 1 113 113 LYS HG3 H 1 1.533 0.006 . 2 . . . A 113 LYS HG3 . 25995 1 1246 . 1 1 113 113 LYS HD2 H 1 1.745 0.007 . 2 . . . A 113 LYS HD2 . 25995 1 1247 . 1 1 113 113 LYS HD3 H 1 1.745 0.007 . 2 . . . A 113 LYS HD3 . 25995 1 1248 . 1 1 113 113 LYS HE2 H 1 3.043 0.008 . 2 . . . A 113 LYS HE2 . 25995 1 1249 . 1 1 113 113 LYS HE3 H 1 3.043 0.008 . 2 . . . A 113 LYS HE3 . 25995 1 1250 . 1 1 113 113 LYS C C 13 171.266 0.01 . 1 . . . A 113 LYS C . 25995 1 1251 . 1 1 113 113 LYS CA C 13 54.313 0.092 . 1 . . . A 113 LYS CA . 25995 1 1252 . 1 1 113 113 LYS CB C 13 32.891 0.12 . 1 . . . A 113 LYS CB . 25995 1 1253 . 1 1 113 113 LYS CG C 13 24.576 0.049 . 1 . . . A 113 LYS CG . 25995 1 1254 . 1 1 113 113 LYS CD C 13 28.661 0.029 . 1 . . . A 113 LYS CD . 25995 1 1255 . 1 1 113 113 LYS CE C 13 41.74 0.073 . 1 . . . A 113 LYS CE . 25995 1 1256 . 1 1 113 113 LYS N N 15 115.693 0.038 . 1 . . . A 113 LYS N . 25995 1 1257 . 1 1 114 114 THR H H 1 8.587 0.005 . 1 . . . A 114 THR H . 25995 1 1258 . 1 1 114 114 THR HA H 1 4.306 0.014 . 1 . . . A 114 THR HA . 25995 1 1259 . 1 1 114 114 THR HB H 1 4.495 0 . 1 . . . A 114 THR HB . 25995 1 1260 . 1 1 114 114 THR HG21 H 1 1.229 0.012 . 1 . . . A 114 THR HG21 . 25995 1 1261 . 1 1 114 114 THR HG22 H 1 1.229 0.012 . 1 . . . A 114 THR HG22 . 25995 1 1262 . 1 1 114 114 THR HG23 H 1 1.229 0.012 . 1 . . . A 114 THR HG23 . 25995 1 1263 . 1 1 114 114 THR C C 13 171.863 0.004 . 1 . . . A 114 THR C . 25995 1 1264 . 1 1 114 114 THR CA C 13 62.774 0.126 . 1 . . . A 114 THR CA . 25995 1 1265 . 1 1 114 114 THR CB C 13 69.041 0.146 . 1 . . . A 114 THR CB . 25995 1 1266 . 1 1 114 114 THR CG2 C 13 20.507 0.017 . 1 . . . A 114 THR CG2 . 25995 1 1267 . 1 1 114 114 THR N N 15 113.097 0.055 . 1 . . . A 114 THR N . 25995 1 1268 . 1 1 115 115 ASP H H 1 8.324 0.003 . 1 . . . A 115 ASP H . 25995 1 1269 . 1 1 115 115 ASP HA H 1 4.327 0.003 . 1 . . . A 115 ASP HA . 25995 1 1270 . 1 1 115 115 ASP HB2 H 1 2.708 0.003 . 2 . . . A 115 ASP HB2 . 25995 1 1271 . 1 1 115 115 ASP HB3 H 1 2.708 0.003 . 2 . . . A 115 ASP HB3 . 25995 1 1272 . 1 1 115 115 ASP C C 13 172.407 0 . 1 . . . A 115 ASP C . 25995 1 1273 . 1 1 115 115 ASP CA C 13 56.211 0.082 . 1 . . . A 115 ASP CA . 25995 1 1274 . 1 1 115 115 ASP CB C 13 39.785 0.047 . 1 . . . A 115 ASP CB . 25995 1 1275 . 1 1 115 115 ASP N N 15 119.587 0.032 . 1 . . . A 115 ASP N . 25995 1 1276 . 1 1 116 116 GLN H H 1 8.121 0.006 . 1 . . . A 116 GLN H . 25995 1 1277 . 1 1 116 116 GLN HA H 1 4.407 0.006 . 1 . . . A 116 GLN HA . 25995 1 1278 . 1 1 116 116 GLN HB2 H 1 1.666 0.005 . 2 . . . A 116 GLN HB2 . 25995 1 1279 . 1 1 116 116 GLN HB3 H 1 1.78 0.002 . 2 . . . A 116 GLN HB3 . 25995 1 1280 . 1 1 116 116 GLN HG2 H 1 2.207 0.005 . 2 . . . A 116 GLN HG2 . 25995 1 1281 . 1 1 116 116 GLN HG3 H 1 2.14 0.01 . 2 . . . A 116 GLN HG3 . 25995 1 1282 . 1 1 116 116 GLN HE21 H 1 6.781 0.004 . 2 . . . A 116 GLN HE21 . 25995 1 1283 . 1 1 116 116 GLN HE22 H 1 7.504 0.003 . 2 . . . A 116 GLN HE22 . 25995 1 1284 . 1 1 116 116 GLN C C 13 173.257 0.006 . 1 . . . A 116 GLN C . 25995 1 1285 . 1 1 116 116 GLN CA C 13 54.852 0.05 . 1 . . . A 116 GLN CA . 25995 1 1286 . 1 1 116 116 GLN CB C 13 29.041 0.123 . 1 . . . A 116 GLN CB . 25995 1 1287 . 1 1 116 116 GLN CG C 13 34.098 0.078 . 1 . . . A 116 GLN CG . 25995 1 1288 . 1 1 116 116 GLN N N 15 115.588 0.039 . 1 . . . A 116 GLN N . 25995 1 1289 . 1 1 116 116 GLN NE2 N 15 112.57 0.122 . 1 . . . A 116 GLN NE2 . 25995 1 1290 . 1 1 117 117 ASP H H 1 7.666 0.005 . 1 . . . A 117 ASP H . 25995 1 1291 . 1 1 117 117 ASP HA H 1 4.032 0.002 . 1 . . . A 117 ASP HA . 25995 1 1292 . 1 1 117 117 ASP HB2 H 1 2.926 0 . 2 . . . A 117 ASP HB2 . 25995 1 1293 . 1 1 117 117 ASP HB3 H 1 2.926 0 . 2 . . . A 117 ASP HB3 . 25995 1 1294 . 1 1 117 117 ASP C C 13 171.162 0.008 . 1 . . . A 117 ASP C . 25995 1 1295 . 1 1 117 117 ASP CA C 13 58.455 0.037 . 1 . . . A 117 ASP CA . 25995 1 1296 . 1 1 117 117 ASP CB C 13 38.941 0.022 . 1 . . . A 117 ASP CB . 25995 1 1297 . 1 1 117 117 ASP N N 15 122.614 0.057 . 1 . . . A 117 ASP N . 25995 1 1298 . 1 1 118 118 GLU H H 1 8.347 0.006 . 1 . . . A 118 GLU H . 25995 1 1299 . 1 1 118 118 GLU HA H 1 4.127 0.005 . 1 . . . A 118 GLU HA . 25995 1 1300 . 1 1 118 118 GLU HB2 H 1 2.069 0.004 . 2 . . . A 118 GLU HB2 . 25995 1 1301 . 1 1 118 118 GLU HB3 H 1 2.069 0.004 . 2 . . . A 118 GLU HB3 . 25995 1 1302 . 1 1 118 118 GLU HG2 H 1 2.423 0.002 . 2 . . . A 118 GLU HG2 . 25995 1 1303 . 1 1 118 118 GLU HG3 H 1 2.317 0.005 . 2 . . . A 118 GLU HG3 . 25995 1 1304 . 1 1 118 118 GLU C C 13 169.491 0.003 . 1 . . . A 118 GLU C . 25995 1 1305 . 1 1 118 118 GLU CA C 13 58.761 0.074 . 1 . . . A 118 GLU CA . 25995 1 1306 . 1 1 118 118 GLU CB C 13 28.796 0.117 . 1 . . . A 118 GLU CB . 25995 1 1307 . 1 1 118 118 GLU CG C 13 36.539 0.03 . 1 . . . A 118 GLU CG . 25995 1 1308 . 1 1 118 118 GLU N N 15 116.617 0.035 . 1 . . . A 118 GLU N . 25995 1 1309 . 1 1 119 119 GLU H H 1 7.814 0.005 . 1 . . . A 119 GLU H . 25995 1 1310 . 1 1 119 119 GLU HA H 1 4.09 0.083 . 1 . . . A 119 GLU HA . 25995 1 1311 . 1 1 119 119 GLU HB2 H 1 1.754 0.009 . 2 . . . A 119 GLU HB2 . 25995 1 1312 . 1 1 119 119 GLU HB3 H 1 1.944 0.027 . 2 . . . A 119 GLU HB3 . 25995 1 1313 . 1 1 119 119 GLU HG2 H 1 2.174 0.004 . 2 . . . A 119 GLU HG2 . 25995 1 1314 . 1 1 119 119 GLU HG3 H 1 1.917 0.004 . 2 . . . A 119 GLU HG3 . 25995 1 1315 . 1 1 119 119 GLU C C 13 170.245 0.01 . 1 . . . A 119 GLU C . 25995 1 1316 . 1 1 119 119 GLU CA C 13 58.303 0.068 . 1 . . . A 119 GLU CA . 25995 1 1317 . 1 1 119 119 GLU CB C 13 28.829 0.178 . 1 . . . A 119 GLU CB . 25995 1 1318 . 1 1 119 119 GLU CG C 13 35.122 0.037 . 1 . . . A 119 GLU CG . 25995 1 1319 . 1 1 119 119 GLU N N 15 123.075 0.045 . 1 . . . A 119 GLU N . 25995 1 1320 . 1 1 120 120 HIS H H 1 8.366 0.007 . 1 . . . A 120 HIS H . 25995 1 1321 . 1 1 120 120 HIS HA H 1 4.195 0.003 . 1 . . . A 120 HIS HA . 25995 1 1322 . 1 1 120 120 HIS HB2 H 1 1.764 0.002 . 2 . . . A 120 HIS HB2 . 25995 1 1323 . 1 1 120 120 HIS HB3 H 1 2.53 0.004 . 2 . . . A 120 HIS HB3 . 25995 1 1324 . 1 1 120 120 HIS C C 13 172.113 0 . 1 . . . A 120 HIS C . 25995 1 1325 . 1 1 120 120 HIS CA C 13 58.639 0.106 . 1 . . . A 120 HIS CA . 25995 1 1326 . 1 1 120 120 HIS CB C 13 27.989 0.052 . 1 . . . A 120 HIS CB . 25995 1 1327 . 1 1 120 120 HIS N N 15 118.611 0.082 . 1 . . . A 120 HIS N . 25995 1 1328 . 1 1 121 121 CYS H H 1 7.836 0.006 . 1 . . . A 121 CYS H . 25995 1 1329 . 1 1 121 121 CYS HA H 1 3.986 0.002 . 1 . . . A 121 CYS HA . 25995 1 1330 . 1 1 121 121 CYS HB2 H 1 2.633 0.007 . 2 . . . A 121 CYS HB2 . 25995 1 1331 . 1 1 121 121 CYS HB3 H 1 3.28 0.005 . 2 . . . A 121 CYS HB3 . 25995 1 1332 . 1 1 121 121 CYS C C 13 172.308 0.024 . 1 . . . A 121 CYS C . 25995 1 1333 . 1 1 121 121 CYS CA C 13 61.649 0.132 . 1 . . . A 121 CYS CA . 25995 1 1334 . 1 1 121 121 CYS CB C 13 26.321 0.17 . 1 . . . A 121 CYS CB . 25995 1 1335 . 1 1 121 121 CYS N N 15 117.055 0.024 . 1 . . . A 121 CYS N . 25995 1 1336 . 1 1 122 122 ARG H H 1 8.419 0.006 . 1 . . . A 122 ARG H . 25995 1 1337 . 1 1 122 122 ARG HA H 1 4.204 0.004 . 1 . . . A 122 ARG HA . 25995 1 1338 . 1 1 122 122 ARG HB2 H 1 2.017 0.003 . 2 . . . A 122 ARG HB2 . 25995 1 1339 . 1 1 122 122 ARG HB3 H 1 2.017 0.003 . 2 . . . A 122 ARG HB3 . 25995 1 1340 . 1 1 122 122 ARG HG2 H 1 1.8 0.003 . 2 . . . A 122 ARG HG2 . 25995 1 1341 . 1 1 122 122 ARG HG3 H 1 1.597 0.004 . 2 . . . A 122 ARG HG3 . 25995 1 1342 . 1 1 122 122 ARG HD2 H 1 3.28 0.002 . 2 . . . A 122 ARG HD2 . 25995 1 1343 . 1 1 122 122 ARG HD3 H 1 3.21 0.005 . 2 . . . A 122 ARG HD3 . 25995 1 1344 . 1 1 122 122 ARG C C 13 169.05 0.005 . 1 . . . A 122 ARG C . 25995 1 1345 . 1 1 122 122 ARG CA C 13 59.684 0.054 . 1 . . . A 122 ARG CA . 25995 1 1346 . 1 1 122 122 ARG CB C 13 29.729 0.145 . 1 . . . A 122 ARG CB . 25995 1 1347 . 1 1 122 122 ARG CG C 13 27.182 0.066 . 1 . . . A 122 ARG CG . 25995 1 1348 . 1 1 122 122 ARG CD C 13 42.833 0.014 . 1 . . . A 122 ARG CD . 25995 1 1349 . 1 1 122 122 ARG N N 15 120.309 0.035 . 1 . . . A 122 ARG N . 25995 1 1350 . 1 1 123 123 LYS H H 1 8.482 0.008 . 1 . . . A 123 LYS H . 25995 1 1351 . 1 1 123 123 LYS HA H 1 3.9 0.004 . 1 . . . A 123 LYS HA . 25995 1 1352 . 1 1 123 123 LYS HB2 H 1 1.78 0.002 . 2 . . . A 123 LYS HB2 . 25995 1 1353 . 1 1 123 123 LYS HB3 H 1 2.158 0.004 . 2 . . . A 123 LYS HB3 . 25995 1 1354 . 1 1 123 123 LYS HG2 H 1 1.783 0.003 . 2 . . . A 123 LYS HG2 . 25995 1 1355 . 1 1 123 123 LYS HG3 H 1 1.517 0.002 . 2 . . . A 123 LYS HG3 . 25995 1 1356 . 1 1 123 123 LYS HD2 H 1 1.805 0 . 2 . . . A 123 LYS HD2 . 25995 1 1357 . 1 1 123 123 LYS HD3 H 1 1.805 0 . 2 . . . A 123 LYS HD3 . 25995 1 1358 . 1 1 123 123 LYS HE2 H 1 3.047 0.003 . 2 . . . A 123 LYS HE2 . 25995 1 1359 . 1 1 123 123 LYS HE3 H 1 3.047 0.003 . 2 . . . A 123 LYS HE3 . 25995 1 1360 . 1 1 123 123 LYS C C 13 170.499 0.014 . 1 . . . A 123 LYS C . 25995 1 1361 . 1 1 123 123 LYS CA C 13 58.94 0.06 . 1 . . . A 123 LYS CA . 25995 1 1362 . 1 1 123 123 LYS CB C 13 32.368 0.092 . 1 . . . A 123 LYS CB . 25995 1 1363 . 1 1 123 123 LYS CG C 13 25.62 0.073 . 1 . . . A 123 LYS CG . 25995 1 1364 . 1 1 123 123 LYS CE C 13 42.044 0 . 1 . . . A 123 LYS CE . 25995 1 1365 . 1 1 123 123 LYS N N 15 118.822 0.039 . 1 . . . A 123 LYS N . 25995 1 1366 . 1 1 124 124 VAL H H 1 8.107 0.006 . 1 . . . A 124 VAL H . 25995 1 1367 . 1 1 124 124 VAL HA H 1 3.454 0.002 . 1 . . . A 124 VAL HA . 25995 1 1368 . 1 1 124 124 VAL HB H 1 2.114 0.008 . 1 . . . A 124 VAL HB . 25995 1 1369 . 1 1 124 124 VAL HG11 H 1 0.754 0.001 . 1 . . . A 124 VAL HG11 . 25995 1 1370 . 1 1 124 124 VAL HG12 H 1 0.754 0.001 . 2 . . . A 124 VAL HG12 . 25995 1 1371 . 1 1 124 124 VAL HG13 H 1 0.754 0.001 . 2 . . . A 124 VAL HG13 . 25995 1 1372 . 1 1 124 124 VAL HG21 H 1 0.419 0.001 . 2 . . . A 124 VAL HG21 . 25995 1 1373 . 1 1 124 124 VAL HG22 H 1 0.419 0.001 . 2 . . . A 124 VAL HG22 . 25995 1 1374 . 1 1 124 124 VAL HG23 H 1 0.419 0.001 . 2 . . . A 124 VAL HG23 . 25995 1 1375 . 1 1 124 124 VAL C C 13 171.738 0.012 . 1 . . . A 124 VAL C . 25995 1 1376 . 1 1 124 124 VAL CA C 13 66.777 0.062 . 1 . . . A 124 VAL CA . 25995 1 1377 . 1 1 124 124 VAL CB C 13 30.766 0.079 . 1 . . . A 124 VAL CB . 25995 1 1378 . 1 1 124 124 VAL CG1 C 13 22.535 0.009 . 2 . . . A 124 VAL CG1 . 25995 1 1379 . 1 1 124 124 VAL CG2 C 13 21.082 0.009 . 2 . . . A 124 VAL CG2 . 25995 1 1380 . 1 1 124 124 VAL N N 15 117.877 0.045 . 1 . . . A 124 VAL N . 25995 1 1381 . 1 1 125 125 ASN H H 1 7.571 0.002 . 1 . . . A 125 ASN H . 25995 1 1382 . 1 1 125 125 ASN HA H 1 4.264 0.002 . 1 . . . A 125 ASN HA . 25995 1 1383 . 1 1 125 125 ASN HB2 H 1 2.859 0 . 2 . . . A 125 ASN HB2 . 25995 1 1384 . 1 1 125 125 ASN HB3 H 1 2.859 0 . 2 . . . A 125 ASN HB3 . 25995 1 1385 . 1 1 125 125 ASN HD21 H 1 7.408 0 . 2 . . . A 125 ASN HD21 . 25995 1 1386 . 1 1 125 125 ASN HD22 H 1 8.938 0 . 2 . . . A 125 ASN HD22 . 25995 1 1387 . 1 1 125 125 ASN C C 13 171.491 0 . 1 . . . A 125 ASN C . 25995 1 1388 . 1 1 125 125 ASN CA C 13 57.661 0.026 . 1 . . . A 125 ASN CA . 25995 1 1389 . 1 1 125 125 ASN CB C 13 39.526 0.048 . 1 . . . A 125 ASN CB . 25995 1 1390 . 1 1 125 125 ASN N N 15 113.782 0.036 . 1 . . . A 125 ASN N . 25995 1 1391 . 1 1 125 125 ASN ND2 N 15 119.871 0.009 . 1 . . . A 125 ASN ND2 . 25995 1 1392 . 1 1 126 126 GLU H H 1 8.363 0.006 . 1 . . . A 126 GLU H . 25995 1 1393 . 1 1 126 126 GLU HA H 1 3.985 0.004 . 1 . . . A 126 GLU HA . 25995 1 1394 . 1 1 126 126 GLU HB2 H 1 1.782 0 . 2 . . . A 126 GLU HB2 . 25995 1 1395 . 1 1 126 126 GLU HB3 H 1 1.921 0.002 . 2 . . . A 126 GLU HB3 . 25995 1 1396 . 1 1 126 126 GLU HG2 H 1 2.166 0.006 . 2 . . . A 126 GLU HG2 . 25995 1 1397 . 1 1 126 126 GLU HG3 H 1 1.93 0 . 2 . . . A 126 GLU HG3 . 25995 1 1398 . 1 1 126 126 GLU C C 13 170.241 0 . 1 . . . A 126 GLU C . 25995 1 1399 . 1 1 126 126 GLU CA C 13 59.068 0.035 . 1 . . . A 126 GLU CA . 25995 1 1400 . 1 1 126 126 GLU CB C 13 28.862 0.126 . 1 . . . A 126 GLU CB . 25995 1 1401 . 1 1 126 126 GLU CG C 13 34.909 0.038 . 1 . . . A 126 GLU CG . 25995 1 1402 . 1 1 126 126 GLU N N 15 119.635 0.021 . 1 . . . A 126 GLU N . 25995 1 1403 . 1 1 127 127 TYR H H 1 8.138 0.008 . 1 . . . A 127 TYR H . 25995 1 1404 . 1 1 127 127 TYR HA H 1 4.35 0.007 . 1 . . . A 127 TYR HA . 25995 1 1405 . 1 1 127 127 TYR HB2 H 1 2.737 0.012 . 2 . . . A 127 TYR HB2 . 25995 1 1406 . 1 1 127 127 TYR HB3 H 1 2.909 0.002 . 2 . . . A 127 TYR HB3 . 25995 1 1407 . 1 1 127 127 TYR C C 13 172.335 0.003 . 1 . . . A 127 TYR C . 25995 1 1408 . 1 1 127 127 TYR CA C 13 60.703 0.103 . 1 . . . A 127 TYR CA . 25995 1 1409 . 1 1 127 127 TYR CB C 13 37.749 0.059 . 1 . . . A 127 TYR CB . 25995 1 1410 . 1 1 127 127 TYR N N 15 115.854 0.023 . 1 . . . A 127 TYR N . 25995 1 1411 . 1 1 128 128 LEU H H 1 7.887 0.003 . 1 . . . A 128 LEU H . 25995 1 1412 . 1 1 128 128 LEU HA H 1 4.082 0.004 . 1 . . . A 128 LEU HA . 25995 1 1413 . 1 1 128 128 LEU HB2 H 1 1.415 0.009 . 2 . . . A 128 LEU HB2 . 25995 1 1414 . 1 1 128 128 LEU HB3 H 1 1.645 0.006 . 2 . . . A 128 LEU HB3 . 25995 1 1415 . 1 1 128 128 LEU HG H 1 2.185 0.004 . 1 . . . A 128 LEU HG . 25995 1 1416 . 1 1 128 128 LEU HD11 H 1 0.654 0.002 . 2 . . . A 128 LEU HD11 . 25995 1 1417 . 1 1 128 128 LEU HD12 H 1 0.654 0.002 . 2 . . . A 128 LEU HD12 . 25995 1 1418 . 1 1 128 128 LEU HD13 H 1 0.654 0.002 . 2 . . . A 128 LEU HD13 . 25995 1 1419 . 1 1 128 128 LEU HD21 H 1 0.514 0.004 . 2 . . . A 128 LEU HD21 . 25995 1 1420 . 1 1 128 128 LEU HD22 H 1 0.514 0.004 . 2 . . . A 128 LEU HD22 . 25995 1 1421 . 1 1 128 128 LEU HD23 H 1 0.514 0.004 . 2 . . . A 128 LEU HD23 . 25995 1 1422 . 1 1 128 128 LEU C C 13 169.993 0.024 . 1 . . . A 128 LEU C . 25995 1 1423 . 1 1 128 128 LEU CA C 13 56.641 0.074 . 1 . . . A 128 LEU CA . 25995 1 1424 . 1 1 128 128 LEU CB C 13 40.551 0.15 . 1 . . . A 128 LEU CB . 25995 1 1425 . 1 1 128 128 LEU CG C 13 25.155 0.013 . 1 . . . A 128 LEU CG . 25995 1 1426 . 1 1 128 128 LEU CD1 C 13 22.066 0.025 . 2 . . . A 128 LEU CD1 . 25995 1 1427 . 1 1 128 128 LEU CD2 C 13 25.496 0.018 . 2 . . . A 128 LEU CD2 . 25995 1 1428 . 1 1 128 128 LEU N N 15 111.895 0.05 . 1 . . . A 128 LEU N . 25995 1 1429 . 1 1 129 129 ASN H H 1 7.435 0.006 . 1 . . . A 129 ASN H . 25995 1 1430 . 1 1 129 129 ASN HA H 1 4.972 0.002 . 1 . . . A 129 ASN HA . 25995 1 1431 . 1 1 129 129 ASN HB2 H 1 2.881 0 . 2 . . . A 129 ASN HB2 . 25995 1 1432 . 1 1 129 129 ASN HB3 H 1 2.881 0 . 2 . . . A 129 ASN HB3 . 25995 1 1433 . 1 1 129 129 ASN HD21 H 1 7.197 0 . 2 . . . A 129 ASN HD21 . 25995 1 1434 . 1 1 129 129 ASN HD22 H 1 7.659 0 . 2 . . . A 129 ASN HD22 . 25995 1 1435 . 1 1 129 129 ASN C C 13 174.067 0.006 . 1 . . . A 129 ASN C . 25995 1 1436 . 1 1 129 129 ASN CA C 13 53.963 0.086 . 1 . . . A 129 ASN CA . 25995 1 1437 . 1 1 129 129 ASN CB C 13 39.868 0.045 . 1 . . . A 129 ASN CB . 25995 1 1438 . 1 1 129 129 ASN N N 15 110.823 0.047 . 1 . . . A 129 ASN N . 25995 1 1439 . 1 1 129 129 ASN ND2 N 15 115.151 0.002 . 1 . . . A 129 ASN ND2 . 25995 1 1440 . 1 1 130 130 ASN H H 1 8.258 0.009 . 1 . . . A 130 ASN H . 25995 1 1441 . 1 1 130 130 ASN HA H 1 5.088 0.004 . 1 . . . A 130 ASN HA . 25995 1 1442 . 1 1 130 130 ASN HB2 H 1 2.694 0.006 . 2 . . . A 130 ASN HB2 . 25995 1 1443 . 1 1 130 130 ASN HB3 H 1 2.814 0.005 . 2 . . . A 130 ASN HB3 . 25995 1 1444 . 1 1 130 130 ASN HD21 H 1 6.827 0 . 2 . . . A 130 ASN HD21 . 25995 1 1445 . 1 1 130 130 ASN HD22 H 1 7.629 0 . 2 . . . A 130 ASN HD22 . 25995 1 1446 . 1 1 130 130 ASN C C 13 178.042 0 . 1 . . . A 130 ASN C . 25995 1 1447 . 1 1 130 130 ASN CA C 13 51.344 0.092 . 1 . . . A 130 ASN CA . 25995 1 1448 . 1 1 130 130 ASN CB C 13 38.672 0.019 . 1 . . . A 130 ASN CB . 25995 1 1449 . 1 1 130 130 ASN N N 15 119.631 0.038 . 1 . . . A 130 ASN N . 25995 1 1450 . 1 1 130 130 ASN ND2 N 15 112.809 0.001 . 1 . . . A 130 ASN ND2 . 25995 1 1451 . 1 1 132 132 PRO HA H 1 4.477 0.009 . 1 . . . . 132 PRO HA . 25995 1 1452 . 1 1 132 132 PRO HB2 H 1 2.043 0.005 . 2 . . . . 132 PRO HB2 . 25995 1 1453 . 1 1 132 132 PRO HB3 H 1 2.301 0.006 . 2 . . . . 132 PRO HB3 . 25995 1 1454 . 1 1 132 132 PRO HG2 H 1 2.099 0 . 2 . . . . 132 PRO QG . 25995 1 1455 . 1 1 132 132 PRO HG3 H 1 2.099 0 . 2 . . . . 132 PRO QG . 25995 1 1456 . 1 1 132 132 PRO HD2 H 1 3.825 0.005 . 2 . . . . 132 PRO HD2 . 25995 1 1457 . 1 1 132 132 PRO HD3 H 1 3.524 0.002 . 2 . . . . 132 PRO HD3 . 25995 1 1458 . 1 1 132 132 PRO C C 13 172.136 0.004 . 1 . . . . 132 PRO C . 25995 1 1459 . 1 1 132 132 PRO CA C 13 62.364 0.047 . 1 . . . . 132 PRO CA . 25995 1 1460 . 1 1 132 132 PRO CB C 13 31.342 0.093 . 1 . . . . 132 PRO CB . 25995 1 1461 . 1 1 132 132 PRO CG C 13 27.033 0.069 . 1 . . . . 132 PRO CG . 25995 1 1462 . 1 1 132 132 PRO CD C 13 50.083 0.082 . 1 . . . . 132 PRO CD . 25995 1 1463 . 1 1 133 133 MET H H 1 8.414 0.002 . 1 . . . . 133 MET H . 25995 1 1464 . 1 1 133 133 MET HA H 1 4.863 0.004 . 1 . . . . 133 MET HA . 25995 1 1465 . 1 1 133 133 MET HB2 H 1 1.956 0.003 . 2 . . . . 133 MET HB2 . 25995 1 1466 . 1 1 133 133 MET HB3 H 1 2.072 0.005 . 2 . . . . 133 MET HB3 . 25995 1 1467 . 1 1 133 133 MET HG2 H 1 2.69 0.004 . 2 . . . . 133 MET HG2 . 25995 1 1468 . 1 1 133 133 MET HG3 H 1 2.6 0.003 . 2 . . . . 133 MET HG3 . 25995 1 1469 . 1 1 133 133 MET HE1 H 1 2.132 0 . 1 . . . . 133 MET QE . 25995 1 1470 . 1 1 133 133 MET HE2 H 1 2.132 0 . 1 . . . . 133 MET QE . 25995 1 1471 . 1 1 133 133 MET HE3 H 1 2.132 0 . 1 . . . . 133 MET QE . 25995 1 1472 . 1 1 133 133 MET C C 13 174.157 0 . 1 . . . . 133 MET C . 25995 1 1473 . 1 1 133 133 MET CA C 13 52.602 0.063 . 1 . . . . 133 MET CA . 25995 1 1474 . 1 1 133 133 MET CB C 13 32.3 0.08 . 1 . . . . 133 MET CB . 25995 1 1475 . 1 1 133 133 MET CG C 13 31.659 0.019 . 1 . . . . 133 MET CG . 25995 1 1476 . 1 1 133 133 MET CE C 13 16.783 0 . 1 . . . . 133 MET CE . 25995 1 1477 . 1 1 133 133 MET N N 15 121.509 0.053 . 1 . . . . 133 MET N . 25995 1 1478 . 1 1 134 134 PRO HA H 1 4.362 0.004 . 1 . . . . 134 PRO HA . 25995 1 1479 . 1 1 134 134 PRO HB2 H 1 1.913 0.004 . 2 . . . . 134 PRO HB2 . 25995 1 1480 . 1 1 134 134 PRO HB3 H 1 2.271 0.009 . 2 . . . . 134 PRO HB3 . 25995 1 1481 . 1 1 134 134 PRO HG2 H 1 2.051 0.007 . 2 . . . . 134 PRO QG . 25995 1 1482 . 1 1 134 134 PRO HG3 H 1 2.051 0.007 . 2 . . . . 134 PRO QG . 25995 1 1483 . 1 1 134 134 PRO HD2 H 1 3.876 0.002 . 2 . . . . 134 PRO HD2 . 25995 1 1484 . 1 1 134 134 PRO HD3 H 1 3.682 0.007 . 2 . . . . 134 PRO HD3 . 25995 1 1485 . 1 1 134 134 PRO C C 13 171.134 0 . 1 . . . . 134 PRO C . 25995 1 1486 . 1 1 134 134 PRO CA C 13 63.278 0.042 . 1 . . . . 134 PRO CA . 25995 1 1487 . 1 1 134 134 PRO CB C 13 31.591 0.042 . 1 . . . . 134 PRO CB . 25995 1 1488 . 1 1 134 134 PRO CG C 13 27.038 0.065 . 1 . . . . 134 PRO CG . 25995 1 1489 . 1 1 134 134 PRO CD C 13 50.627 0.034 . 1 . . . . 134 PRO CD . 25995 1 1490 . 1 1 135 135 GLY H H 1 8.504 0.005 . 1 . . . . 135 GLY H . 25995 1 1491 . 1 1 135 135 GLY HA2 H 1 3.923 0.004 . 2 . . . . 135 GLY QA . 25995 1 1492 . 1 1 135 135 GLY HA3 H 1 3.923 0.004 . 2 . . . . 135 GLY QA . 25995 1 1493 . 1 1 135 135 GLY C C 13 174.568 0.011 . 1 . . . . 135 GLY C . 25995 1 1494 . 1 1 135 135 GLY CA C 13 45.026 0.047 . 1 . . . . 135 GLY CA . 25995 1 1495 . 1 1 135 135 GLY N N 15 109.582 0.043 . 1 . . . . 135 GLY N . 25995 1 1496 . 1 1 136 136 ALA H H 1 8.086 0.003 . 1 . . . . 136 ALA H . 25995 1 1497 . 1 1 136 136 ALA HA H 1 4.311 0.004 . 1 . . . . 136 ALA HA . 25995 1 1498 . 1 1 136 136 ALA HB1 H 1 1.407 0.003 . 1 . . . . 136 ALA QB . 25995 1 1499 . 1 1 136 136 ALA HB2 H 1 1.407 0.003 . 1 . . . . 136 ALA QB . 25995 1 1500 . 1 1 136 136 ALA HB3 H 1 1.407 0.003 . 1 . . . . 136 ALA QB . 25995 1 1501 . 1 1 136 136 ALA C C 13 170.727 0 . 1 . . . . 136 ALA C . 25995 1 1502 . 1 1 136 136 ALA CA C 13 52.343 0.022 . 1 . . . . 136 ALA CA . 25995 1 1503 . 1 1 136 136 ALA CB C 13 18.975 0.031 . 1 . . . . 136 ALA CB . 25995 1 1504 . 1 1 136 136 ALA N N 15 123.487 0.059 . 1 . . . . 136 ALA N . 25995 1 1505 . 1 1 137 137 LEU H H 1 8.268 0.002 . 1 . . . . 137 LEU H . 25995 1 1506 . 1 1 137 137 LEU HA H 1 4.327 0 . 1 . . . . 137 LEU HA . 25995 1 1507 . 1 1 137 137 LEU HB2 H 1 1.644 0 . 2 . . . . 137 LEU HB2 . 25995 1 1508 . 1 1 137 137 LEU HB3 H 1 0.883 0 . 2 . . . . 137 LEU HB3 . 25995 1 1509 . 1 1 137 137 LEU HG H 1 0.891 0 . 1 . . . . 137 LEU HG . 25995 1 1510 . 1 1 137 137 LEU HD11 H 1 1.169 0 . 2 . . . . 137 LEU QD1 . 25995 1 1511 . 1 1 137 137 LEU HD12 H 1 1.169 0 . 2 . . . . 137 LEU QD1 . 25995 1 1512 . 1 1 137 137 LEU HD13 H 1 1.169 0 . 2 . . . . 137 LEU QD1 . 25995 1 1513 . 1 1 137 137 LEU HD21 H 1 0.602 0 . 2 . . . . 137 LEU QD2 . 25995 1 1514 . 1 1 137 137 LEU HD22 H 1 0.602 0 . 2 . . . . 137 LEU QD2 . 25995 1 1515 . 1 1 137 137 LEU HD23 H 1 0.602 0 . 2 . . . . 137 LEU QD2 . 25995 1 1516 . 1 1 137 137 LEU C C 13 170.637 0.014 . 1 . . . . 137 LEU C . 25995 1 1517 . 1 1 137 137 LEU CA C 13 55.102 0.042 . 1 . . . . 137 LEU CA . 25995 1 1518 . 1 1 137 137 LEU CB C 13 41.522 0.036 . 1 . . . . 137 LEU CB . 25995 1 1519 . 1 1 137 137 LEU CG C 13 26.63 0 . 1 . . . . 137 LEU CG . 25995 1 1520 . 1 1 137 137 LEU CD1 C 13 24.447 0 . 2 . . . . 137 LEU CD1 . 25995 1 1521 . 1 1 137 137 LEU CD2 C 13 23.043 0 . 2 . . . . 137 LEU CD2 . 25995 1 1522 . 1 1 137 137 LEU N N 15 120.911 0.05 . 1 . . . . 137 LEU N . 25995 1 1523 . 1 1 138 138 GLY H H 1 8.316 0.004 . 1 . . . . 138 GLY H . 25995 1 1524 . 1 1 138 138 GLY HA2 H 1 3.926 0.005 . 2 . . . . 138 GLY QA . 25995 1 1525 . 1 1 138 138 GLY HA3 H 1 3.926 0.005 . 2 . . . . 138 GLY QA . 25995 1 1526 . 1 1 138 138 GLY C C 13 174.661 0.001 . 1 . . . . 138 GLY C . 25995 1 1527 . 1 1 138 138 GLY CA C 13 44.994 0.06 . 1 . . . . 138 GLY CA . 25995 1 1528 . 1 1 138 138 GLY N N 15 109.339 0.055 . 1 . . . . 138 GLY N . 25995 1 1529 . 1 1 139 139 ALA H H 1 8.161 0.002 . 1 . . . . 139 ALA H . 25995 1 1530 . 1 1 139 139 ALA HA H 1 4.349 0.008 . 1 . . . . 139 ALA HA . 25995 1 1531 . 1 1 139 139 ALA HB1 H 1 1.385 0.006 . 1 . . . . 139 ALA QB . 25995 1 1532 . 1 1 139 139 ALA HB2 H 1 1.385 0.006 . 1 . . . . 139 ALA QB . 25995 1 1533 . 1 1 139 139 ALA HB3 H 1 1.385 0.006 . 1 . . . . 139 ALA QB . 25995 1 1534 . 1 1 139 139 ALA C C 13 170.635 0.004 . 1 . . . . 139 ALA C . 25995 1 1535 . 1 1 139 139 ALA CA C 13 52.338 0.08 . 1 . . . . 139 ALA CA . 25995 1 1536 . 1 1 139 139 ALA CB C 13 18.953 0.038 . 1 . . . . 139 ALA CB . 25995 1 1537 . 1 1 139 139 ALA N N 15 123.78 0.077 . 1 . . . . 139 ALA N . 25995 1 1538 . 1 1 140 140 SER H H 1 8.366 0.002 . 1 . . . . 140 SER H . 25995 1 1539 . 1 1 140 140 SER HA H 1 4.435 0 . 1 . . . . 140 SER HA . 25995 1 1540 . 1 1 140 140 SER HB2 H 1 3.898 0 . 2 . . . . 140 SER QB . 25995 1 1541 . 1 1 140 140 SER HB3 H 1 3.898 0 . 2 . . . . 140 SER QB . 25995 1 1542 . 1 1 140 140 SER C C 13 173.467 0.006 . 1 . . . . 140 SER C . 25995 1 1543 . 1 1 140 140 SER CA C 13 58.406 0.043 . 1 . . . . 140 SER CA . 25995 1 1544 . 1 1 140 140 SER CB C 13 63.707 0.045 . 1 . . . . 140 SER CB . 25995 1 1545 . 1 1 140 140 SER N N 15 115.047 0.058 . 1 . . . . 140 SER N . 25995 1 1546 . 1 1 141 141 GLY H H 1 8.388 0.004 . 1 . . . . 141 GLY H . 25995 1 1547 . 1 1 141 141 GLY HA2 H 1 4.005 0.001 . 2 . . . . 141 GLY QA . 25995 1 1548 . 1 1 141 141 GLY HA3 H 1 4.005 0.001 . 2 . . . . 141 GLY QA . 25995 1 1549 . 1 1 141 141 GLY C C 13 174.405 0.006 . 1 . . . . 141 GLY C . 25995 1 1550 . 1 1 141 141 GLY CA C 13 45.168 0.061 . 1 . . . . 141 GLY CA . 25995 1 1551 . 1 1 141 141 GLY N N 15 110.701 0.071 . 1 . . . . 141 GLY N . 25995 1 1552 . 1 1 142 142 SER H H 1 8.231 0.002 . 1 . . . . 142 SER H . 25995 1 1553 . 1 1 142 142 SER HA H 1 4.511 0.003 . 1 . . . . 142 SER HA . 25995 1 1554 . 1 1 142 142 SER HB2 H 1 3.879 0.003 . 2 . . . . 142 SER QB . 25995 1 1555 . 1 1 142 142 SER HB3 H 1 3.879 0.003 . 2 . . . . 142 SER QB . 25995 1 1556 . 1 1 142 142 SER C C 13 173.891 0 . 1 . . . . 142 SER C . 25995 1 1557 . 1 1 142 142 SER CA C 13 58.095 0.033 . 1 . . . . 142 SER CA . 25995 1 1558 . 1 1 142 142 SER CB C 13 63.81 0.058 . 1 . . . . 142 SER CB . 25995 1 1559 . 1 1 142 142 SER N N 15 115.533 0.081 . 1 . . . . 142 SER N . 25995 1 1560 . 1 1 143 143 SER H H 1 8.461 0.003 . 1 . . . . 143 SER H . 25995 1 1561 . 1 1 143 143 SER HA H 1 4.47 0.005 . 1 . . . . 143 SER HA . 25995 1 1562 . 1 1 143 143 SER HB2 H 1 3.882 0.001 . 2 . . . . 143 SER QB . 25995 1 1563 . 1 1 143 143 SER HB3 H 1 3.882 0.001 . 2 . . . . 143 SER QB . 25995 1 1564 . 1 1 143 143 SER C C 13 173.661 0.01 . 1 . . . . 143 SER C . 25995 1 1565 . 1 1 143 143 SER CA C 13 58.448 0.085 . 1 . . . . 143 SER CA . 25995 1 1566 . 1 1 143 143 SER CB C 13 63.769 0.017 . 1 . . . . 143 SER CB . 25995 1 1567 . 1 1 143 143 SER N N 15 117.83 0.054 . 1 . . . . 143 SER N . 25995 1 1568 . 1 1 144 144 GLY H H 1 8.451 0.005 . 1 . . . . 144 GLY H . 25995 1 1569 . 1 1 144 144 GLY HA2 H 1 3.931 0 . 2 . . . . 144 GLY QA . 25995 1 1570 . 1 1 144 144 GLY HA3 H 1 3.931 0 . 2 . . . . 144 GLY QA . 25995 1 1571 . 1 1 144 144 GLY C C 13 174.643 0.002 . 1 . . . . 144 GLY C . 25995 1 1572 . 1 1 144 144 GLY CA C 13 45.121 0.04 . 1 . . . . 144 GLY CA . 25995 1 1573 . 1 1 144 144 GLY N N 15 110.487 0.051 . 1 . . . . 144 GLY N . 25995 1 1574 . 1 1 145 145 HIS H H 1 8.22 0.003 . 1 . . . . 145 HIS H . 25995 1 1575 . 1 1 145 145 HIS HA H 1 4.665 0.003 . 1 . . . . 145 HIS HA . 25995 1 1576 . 1 1 145 145 HIS HB2 H 1 3.192 0.012 . 2 . . . . 145 HIS HB2 . 25995 1 1577 . 1 1 145 145 HIS HB3 H 1 3.068 0.002 . 2 . . . . 145 HIS HB3 . 25995 1 1578 . 1 1 145 145 HIS C C 13 173.819 0.003 . 1 . . . . 145 HIS C . 25995 1 1579 . 1 1 145 145 HIS CA C 13 55.506 0.079 . 1 . . . . 145 HIS CA . 25995 1 1580 . 1 1 145 145 HIS CB C 13 29.617 0.114 . 1 . . . . 145 HIS CB . 25995 1 1581 . 1 1 145 145 HIS N N 15 118.579 0.094 . 1 . . . . 145 HIS N . 25995 1 1582 . 1 1 146 146 GLU H H 1 8.584 0.008 . 1 . . . . 146 GLU H . 25995 1 1583 . 1 1 146 146 GLU HA H 1 4.244 0.001 . 1 . . . . 146 GLU HA . 25995 1 1584 . 1 1 146 146 GLU HB2 H 1 1.922 0.002 . 2 . . . . 146 GLU HB2 . 25995 1 1585 . 1 1 146 146 GLU HB3 H 1 2.018 0.003 . 2 . . . . 146 GLU HB3 . 25995 1 1586 . 1 1 146 146 GLU HG2 H 1 2.23 0.003 . 2 . . . . 146 GLU QG . 25995 1 1587 . 1 1 146 146 GLU HG3 H 1 2.23 0.003 . 2 . . . . 146 GLU QG . 25995 1 1588 . 1 1 146 146 GLU C C 13 172.144 0.004 . 1 . . . . 146 GLU C . 25995 1 1589 . 1 1 146 146 GLU CA C 13 56.564 0.091 . 1 . . . . 146 GLU CA . 25995 1 1590 . 1 1 146 146 GLU CB C 13 29.544 0.069 . 1 . . . . 146 GLU CB . 25995 1 1591 . 1 1 146 146 GLU CG C 13 35.79 0.046 . 1 . . . . 146 GLU CG . 25995 1 1592 . 1 1 146 146 GLU N N 15 121.988 0.031 . 1 . . . . 146 GLU N . 25995 1 1593 . 1 1 147 147 LEU H H 1 8.354 0.003 . 1 . . . . 147 LEU H . 25995 1 1594 . 1 1 147 147 LEU HA H 1 4.342 0.005 . 1 . . . . 147 LEU HA . 25995 1 1595 . 1 1 147 147 LEU HB2 H 1 1.624 0.007 . 2 . . . . 147 LEU QB . 25995 1 1596 . 1 1 147 147 LEU HB3 H 1 1.624 0.007 . 2 . . . . 147 LEU QB . 25995 1 1597 . 1 1 147 147 LEU HG H 1 1.634 0.005 . 1 . . . . 147 LEU HG . 25995 1 1598 . 1 1 147 147 LEU HD11 H 1 0.915 0.002 . 2 . . . . 147 LEU QD1 . 25995 1 1599 . 1 1 147 147 LEU HD12 H 1 0.915 0.002 . 2 . . . . 147 LEU QD1 . 25995 1 1600 . 1 1 147 147 LEU HD13 H 1 0.915 0.002 . 2 . . . . 147 LEU QD1 . 25995 1 1601 . 1 1 147 147 LEU HD21 H 1 0.864 0.001 . 2 . . . . 147 LEU QD2 . 25995 1 1602 . 1 1 147 147 LEU HD22 H 1 0.864 0.001 . 2 . . . . 147 LEU QD2 . 25995 1 1603 . 1 1 147 147 LEU HD23 H 1 0.864 0.001 . 2 . . . . 147 LEU QD2 . 25995 1 1604 . 1 1 147 147 LEU C C 13 171.298 0.003 . 1 . . . . 147 LEU C . 25995 1 1605 . 1 1 147 147 LEU CA C 13 54.975 0.035 . 1 . . . . 147 LEU CA . 25995 1 1606 . 1 1 147 147 LEU CB C 13 41.75 0.171 . 1 . . . . 147 LEU CB . 25995 1 1607 . 1 1 147 147 LEU CG C 13 26.597 0.04 . 1 . . . . 147 LEU CG . 25995 1 1608 . 1 1 147 147 LEU CD1 C 13 24.491 0.034 . 2 . . . . 147 LEU CD1 . 25995 1 1609 . 1 1 147 147 LEU CD2 C 13 23.033 0.013 . 2 . . . . 147 LEU CD2 . 25995 1 1610 . 1 1 147 147 LEU N N 15 123.032 0.047 . 1 . . . . 147 LEU N . 25995 1 1611 . 1 1 148 148 SER H H 1 8.218 0.003 . 1 . . . . 148 SER H . 25995 1 1612 . 1 1 148 148 SER HA H 1 4.406 0.001 . 1 . . . . 148 SER HA . 25995 1 1613 . 1 1 148 148 SER HB2 H 1 3.845 0.001 . 2 . . . . 148 SER QB . 25995 1 1614 . 1 1 148 148 SER HB3 H 1 3.845 0.001 . 2 . . . . 148 SER QB . 25995 1 1615 . 1 1 148 148 SER C C 13 174.769 0.004 . 1 . . . . 148 SER C . 25995 1 1616 . 1 1 148 148 SER CA C 13 58.035 0.02 . 1 . . . . 148 SER CA . 25995 1 1617 . 1 1 148 148 SER CB C 13 63.699 0.058 . 1 . . . . 148 SER CB . 25995 1 1618 . 1 1 148 148 SER N N 15 116.267 0.072 . 1 . . . . 148 SER N . 25995 1 1619 . 1 1 149 149 ALA H H 1 8.25 0.003 . 1 . . . . 149 ALA H . 25995 1 1620 . 1 1 149 149 ALA HA H 1 4.367 0.004 . 1 . . . . 149 ALA HA . 25995 1 1621 . 1 1 149 149 ALA HB1 H 1 1.377 0.008 . 1 . . . . 149 ALA QB . 25995 1 1622 . 1 1 149 149 ALA HB2 H 1 1.377 0.008 . 1 . . . . 149 ALA QB . 25995 1 1623 . 1 1 149 149 ALA HB3 H 1 1.377 0.008 . 1 . . . . 149 ALA QB . 25995 1 1624 . 1 1 149 149 ALA C C 13 172.225 0.001 . 1 . . . . 149 ALA C . 25995 1 1625 . 1 1 149 149 ALA CA C 13 52.072 0.043 . 1 . . . . 149 ALA CA . 25995 1 1626 . 1 1 149 149 ALA CB C 13 18.934 0.042 . 1 . . . . 149 ALA CB . 25995 1 1627 . 1 1 149 149 ALA N N 15 126.608 0.048 . 1 . . . . 149 ALA N . 25995 1 1628 . 1 1 150 150 LEU H H 1 7.761 0.003 . 1 . . . . 150 LEU H . 25995 1 1629 . 1 1 150 150 LEU HA H 1 4.148 0.001 . 1 . . . . 150 LEU HA . 25995 1 1630 . 1 1 150 150 LEU HB2 H 1 1.566 0.005 . 2 . . . . 150 LEU QB . 25995 1 1631 . 1 1 150 150 LEU HB3 H 1 1.566 0.005 . 2 . . . . 150 LEU QB . 25995 1 1632 . 1 1 150 150 LEU HG H 1 1.591 0.004 . 1 . . . . 150 LEU HG . 25995 1 1633 . 1 1 150 150 LEU HD11 H 1 0.891 0.001 . 2 . . . . 150 LEU QD1 . 25995 1 1634 . 1 1 150 150 LEU HD12 H 1 0.891 0.001 . 2 . . . . 150 LEU QD1 . 25995 1 1635 . 1 1 150 150 LEU HD13 H 1 0.891 0.001 . 2 . . . . 150 LEU QD1 . 25995 1 1636 . 1 1 150 150 LEU HD21 H 1 0.849 0.003 . 2 . . . . 150 LEU QD2 . 25995 1 1637 . 1 1 150 150 LEU HD22 H 1 0.849 0.003 . 2 . . . . 150 LEU QD2 . 25995 1 1638 . 1 1 150 150 LEU HD23 H 1 0.849 0.003 . 2 . . . . 150 LEU QD2 . 25995 1 1639 . 1 1 150 150 LEU C C 13 166.222 0 . 1 . . . . 150 LEU C . 25995 1 1640 . 1 1 150 150 LEU CA C 13 56.351 0.082 . 1 . . . . 150 LEU CA . 25995 1 1641 . 1 1 150 150 LEU CB C 13 42.92 0.105 . 1 . . . . 150 LEU CB . 25995 1 1642 . 1 1 150 150 LEU CG C 13 26.776 0.046 . 1 . . . . 150 LEU CG . 25995 1 1643 . 1 1 150 150 LEU CD1 C 13 24.677 0.077 . 2 . . . . 150 LEU CD1 . 25995 1 1644 . 1 1 150 150 LEU CD2 C 13 23.095 0.013 . 2 . . . . 150 LEU CD2 . 25995 1 1645 . 1 1 150 150 LEU N N 15 126.935 0.046 . 1 . . . . 150 LEU N . 25995 1 stop_ save_